SCHEMBL2347309

SCHEMBL2347309

COC(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
KCNA5 P22460 8/20 0.54
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
TACR1 P25103 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL3358300 0.91 HPGD (0.50) HPGDKCNA5KMT2ALMNAPOLB
SCHEMBL1429119 0.89 KMT2A (0.60) HPGDKMT2ALMNAALDH1A1TACR1
SCHEMBL29174151 0.88 MEN1 (0.49) HPGDKCNA5KMT2ALMNATACR1
SCHEMBL29174146 0.87 MAPT (0.50) HPGDKCNA5KMT2ALMNAPOLB
SCHEMBL28677834 0.87 KCNA5 (0.52) HPGDKCNA5KMT2ALMNAPOLB
SCHEMBL3358387 0.87 CTSA (0.49) HPGDKCNA5KMT2APOLBALDH1A1
SCHEMBL12473253 0.86 KCNA5 (0.65) HPGDKCNA5KMT2APOLBALDH1A1
SCHEMBL7995142 0.86 ALDH1A1 (0.67) HPGDKCNA5KMT2APOLBALDH1A1
SCHEMBL24661003 0.85 KCNA5 (0.52) HPGDKCNA5KMT2APOLBALDH1A1
SCHEMBL6306108 0.85 MTNR1A (0.63) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP claimed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP claimed
EP-0641208-A4 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-30 EP claimed
EP-0641208-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP claimed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
WO-1993023048-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
CN-110914241-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-11-14 CN disclosed
WO-2021231778-A1 CORONAVIRUS PROTEASE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed
US-20210102083-A1 THERMOCHROMIC PIGMENT COMPOSITIONS SOCIETE BIC (FR) 2021-04-08 US disclosed
US-10561666-B2 Amido compounds as RORγt modulators and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-02-18 US disclosed
US-10351506-B2 Purified plasticizers, production and use EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-07-16 US disclosed
US-20190031593-A1 Purified Plasticizers, Production and Use EXXONMOBIL CHEMICAL PATENTS INC. 2019-01-31 US disclosed
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP disclosed
US-5620986-A TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS MERCK & CO., INC. (US) 1997-04-15 US disclosed
EP-0641208-A4 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-30 EP disclosed
EP-0641208-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP disclosed
US-5312828-A Substituted imidazoles having angiotensin II receptor blocking activity SMITHKLINE BEECHAM CORPORATION A CORP. OF PENNSYLVANIA 1994-05-17 US disclosed
WO-1993023048-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP 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 (4 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-10351506-B2 Purified plasticizers, production and use ALKBH3, FTO, ALK HPGD 2824/4885KCNA5 3761/4885KMT2A 416/4885
US-20210102083-A1 THERMOCHROMIC PIGMENT COMPOSITIONS TYR, MITF, MC1R HPGD 1357/4885KCNA5 1198/4885KMT2A 3087/4885
US-20190031593-A1 Purified Plasticizers, Production and Use ALKBH3, FTO, ALK HPGD 2824/4885KCNA5 3761/4885KMT2A 416/4885
US-10561666-B2 Amido compounds as RORγt modulators and uses thereof RORB, RORA, RORC HPGD 1073/4885KCNA5 4414/4885KMT2A 2102/4885

“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.