SCHEMBL9880849

SCHEMBL9880849

CC(C)C1CC(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.40
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HTR2C P28335 3/20 0.39
ADORA3 P0DMS8 2/20 0.38
AR P10275 2/20 0.38
MAOB P27338 2/20 0.38
HSD11B1 P28845 1/20 0.38
AKR1C3 P42330 1/20 0.38
ACHE P22303 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP19A1 P11511 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC25A5 P05141 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.36
CDC25B P30305 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21935663 0.86 ACE (0.41) S100A4HTR2CADORA3ARMAOB
SCHEMBL18289353 0.81 PTPN1 (0.37) PRNPPPARGNCOR2HTR2CMAOB
SCHEMBL20207026 0.81 S100A4 (0.53) S100A4PRNPPPARGNCOR2ADORA3
SCHEMBL7716941 0.79 CYP2A6 (0.42) PRNPPPARGNCOR2HTR2CMAOB
SCHEMBL28683342 0.77 HTR2C (0.37) S100A4HTR2CADORA3ARMAOB
SCHEMBL30737888 0.75 AR (0.46) S100A4ADORA3ARMAOBHSD11B1
SCHEMBL2929675 0.75 AR (0.46) S100A4ADORA3ARMAOBHSD11B1
SCHEMBL11869980 0.75 AR (0.46) S100A4ADORA3ARMAOBHSD11B1
SCHEMBL19302757 0.75 AR (0.46) S100A4ADORA3ARMAOBHSD11B1
SCHEMBL23617800 0.74 HTR2C (0.38) PPARGHTR2CADORA3ARHSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
US-20210093611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2021-04-01 US disclosed
US-10918622-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2021-02-16 US disclosed
US-20200276162-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2020-09-03 US disclosed
US-10695323-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2020-06-30 US disclosed
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2017-08-17 US disclosed
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2017-08-17 US disclosed
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2016-09-22 US disclosed
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
US-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-8716310-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2013-06-20 US disclosed
US-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 S100A4 3384/4885PRNP 1757/4885PPARG 1608/4885
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 S100A4 3384/4885PRNP 1757/4885PPARG 1608/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 S100A4 3384/4885PRNP 1757/4885PPARG 1608/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 S100A4 3384/4885PRNP 1757/4885PPARG 1608/4885
US-10918622-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK S100A4 4490/4885PRNP 4819/4885PPARG 4796/4885
US-20200276162-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK S100A4 4490/4885PRNP 4819/4885PPARG 4796/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK S100A4 4490/4885PRNP 4819/4885PPARG 4796/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 S100A4 3384/4885PRNP 1757/4885PPARG 1608/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 S100A4 3384/4885PRNP 1757/4885PPARG 1608/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 S100A4 2235/4885PRNP 2145/4885PPARG 3534/4885
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 S100A4 3384/4885PRNP 1757/4885PPARG 1608/4885
US-10695323-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK S100A4 4490/4885PRNP 4819/4885PPARG 4796/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK S100A4 4490/4885PRNP 4819/4885PPARG 4796/4885
US-20210093611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK S100A4 4490/4885PRNP 4819/4885PPARG 4796/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 S100A4 3384/4885PRNP 1757/4885PPARG 1608/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.