SCHEMBL9880895

SCHEMBL9880895

CCc1ccc(CC(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 1/20 0.44
APEX1 P27695 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL68973 0.89 HPGD (0.59) HPGDKMT2AMAPTALDH1A1MEN1
SCHEMBL4096475 0.81 ALDH1A1 (0.43) HPGDKMT2AMAPTALDH1A1MEN1
SCHEMBL13065318 0.80 HPGD (0.52) HPGDKMT2AMAPTALDH1A1MEN1
SCHEMBL8437531 0.78 HPGD (0.50) HPGDKMT2AMAPTALDH1A1MEN1
SCHEMBL1260565 0.78 KMT2A (0.50) HPGDKMT2AMAPTALDH1A1MEN1
SCHEMBL11626640 0.78 HPGD (0.50) HPGDKMT2AMAPTALDH1A1MEN1
SCHEMBL16564292 0.78 HPGD (0.50) HPGDKMT2AMAPTALDH1A1MEN1
SCHEMBL6081236 0.78 HPGD (0.50) HPGDKMT2AMAPTALDH1A1MEN1
SCHEMBL45854 0.78
SCHEMBL9880894 0.78 ACACA (0.44) HPGDKMT2AMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848617-B1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-01-12 EP disclosed
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
CN-103387583-B Diaryl simultaneously [a, g] quinolizine class compound, its preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2018-04-13 CN disclosed
US-9751882-B2 Diaryl[A, G]quinolizidine compound, preparation method therefor, pharmaceutical composition, and uses thereof KINGSOUND & PARTNER (CN) 2017-09-05 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-20150141419-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 US disclosed
EP-2848617-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-03-18 EP 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
CN-103387583-A Diaryl [a, g] quinolizidine compound, preparation method thereof, pharmaceutical composition, and uses thereof SHANGHAI INST MATERIA MEDICA 2013-11-13 CN 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

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 HPGD 391/4885KMT2A 3013/4885MAPT 66/4885
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 HPGD 391/4885KMT2A 3013/4885MAPT 66/4885
US-20150141419-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF HTR5A, HTR1F, QDPR HPGD 584/4885KMT2A 3312/4885MAPT 2859/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 HPGD 391/4885KMT2A 3013/4885MAPT 66/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 HPGD 391/4885KMT2A 3013/4885MAPT 66/4885
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 HPGD 391/4885KMT2A 3013/4885MAPT 66/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 HPGD 1091/4885KMT2A 2484/4885MAPT 412/4885
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 HPGD 391/4885KMT2A 3013/4885MAPT 66/4885

“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.