SCHEMBL3678022

SCHEMBL3678022

CC(Cc1ccccc1)OC=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SIGMAR1 Q99720 4/20 0.50
SLC6A2 P23975 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
EPHX1 P07099 2/20 0.48
SLC18A2 Q05940 1/20 0.47
CYP2D6 P10635 1/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSH P09668 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL332255 0.88 SRR (0.47) TAAR1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL12630152 0.84 SMN1; SMN2 (0.46) TAAR1MEN1KMT2ACTSKCTSL
SCHEMBL10590311 0.84 MEN1 (0.41) TAAR1MEN1KMT2ACTSKCTSL
SCHEMBL7312539 0.83 PPARG (0.41) TAAR1MEN1KMT2AMAOACYP2A6
SCHEMBL18085416 0.83 EPHX1 (0.48) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL11082687 0.82 CYP19A1 (0.44) TAAR1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL16021181 0.82 PPARG (0.42) TAAR1MEN1KMT2ACTSKCTSL
SCHEMBL2554498 0.81 TSHR (0.47) TAAR1MEN1KMT2AEPHX1CTSB
SCHEMBL2918968 0.81 SIGMAR1 (0.48) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL15802699 0.79 EPHX1 (0.56) TAAR1MEN1KMT2ASIGMAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493747-B1 PROCESS FOR PRODUCING MODIFIED PEPTIDE DAIICHI SANKYO CO LTD (JP) 2012-12-19 EP claimed
US-3944590-A ALKYL PHENYL CARBONATES CIBA-GEIGY CORPORATION (US) 1976-03-16 US claimed
CN-115704995-A Curable composition, cured film and application thereof, method for producing cured film, and polymer JSR株式会社 2023-02-17 CN disclosed
CN-115433591-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer and method for producing same JSR株式会社 2022-12-06 CN disclosed
CN-115197719-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, and method for producing same JSR株式会社 2022-10-18 CN disclosed
US-20180065921-A1 METHODS OF TREATING FIBROSIS NOGRA PHARMA LIMITED (IE) 2018-03-08 US disclosed
CN-107636056-A Multifunctional optical high transparency film and its production method 艾兰德高分子工业有限公司 2018-01-26 CN disclosed
EP-1493747-B1 PROCESS FOR PRODUCING MODIFIED PEPTIDE DAIICHI SANKYO CO LTD (JP) 2012-12-19 EP disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP disclosed
US-4086221-A SERUM CALCIUM REDUCING ACTIVITY TOYO JOZO KABUSHIKI KAISHA (JA) 1978-04-25 US disclosed
US-4063025-A PROPHYLAXIS, ANTIASTHMATIC YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-12-13 US disclosed
US-4041161-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed
US-4015000-A 6-Acylamino-penam-3-carboxylic and 7-acylamino-3-cephem-4-carboxylic acids CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-3994871-A Process for the manufacture of peptides containing cystine CIBA-GEIGY CORPORATION (US) 1976-11-30 US disclosed
US-3956260-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed
US-3954802-A Substituted-ureido derivatives of penam 3-carboxylic acid and cephem 4-carboxylic acid CIBA-GEIGY CORPORATION (US) 1976-05-04 US disclosed
US-3944590-A ALKYL PHENYL CARBONATES CIBA-GEIGY CORPORATION (US) 1976-03-16 US disclosed
US-3934008-A PEPTIDES, HYPOCALCAEMIC CIBA-GEIGY CORPORATION (US) 1976-01-20 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 (2 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A TAAR1 297/4885MEN1 3933/4885KMT2A 3783/4885
US-20180065921-A1 METHODS OF TREATING FIBROSIS MMP1, MMP8, FABP2 TAAR1 3882/4885MEN1 4490/4885KMT2A 3951/4885

“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.