SCHEMBL9880894

SCHEMBL9880894

CCc1ccc(CC(=O)OC)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
HSP90AB1 P08238 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.38
SMYD3 Q9H7B4 1/20 0.38
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL22528253 0.92 ACACA (0.48) ACACACYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL27942724 0.85 MAPT (0.50) ACACACYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL1433482 0.85 ACACA (0.47) ACACACYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL16564352 0.83 SMN1; SMN2 (0.53) ALDH1A1HPGDSMN1; SMN2TSHRGAA
SCHEMBL19599025 0.83 ACACA (0.43) ACACACYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL11627904 0.83 ACACA (0.43) ACACACYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL2615894 0.81 ACACA (0.53) ACACACYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL12255286 0.80 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL1598343 0.79 HDAC1 (0.44) ACACACYP4F2CYP4A11HPGDHSP90AB1
SCHEMBL14541922 0.79 ACACA (0.43) ACACACYP4F2CYP4A11ALDH1A1HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2018-08-02 US disclosed
US-9951059-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2018-04-24 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-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 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 (8 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 ACACA 1548/4885CYP4F2 1873/4885CYP4A11 1083/4885
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ACACA 1548/4885CYP4F2 1873/4885CYP4A11 1083/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ACACA 1548/4885CYP4F2 1873/4885CYP4A11 1083/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 ACACA 2083/4885CYP4F2 2496/4885CYP4A11 2283/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ACACA 1548/4885CYP4F2 1873/4885CYP4A11 1083/4885
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ACACA 1548/4885CYP4F2 1873/4885CYP4A11 1083/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 ACACA 1972/4885CYP4F2 2762/4885CYP4A11 1802/4885
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ACACA 1548/4885CYP4F2 1873/4885CYP4A11 1083/4885

“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.