SCHEMBL8940085

SCHEMBL8940085

CC(C)(O)CCc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
HSPA5 P11021 1/20 0.48
HTR1A P08908 1/20 0.47
MPO P05164 5/20 0.46
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
AKR1B1 P15121 1/20 0.42
IDO1 P14902 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL7335275 0.88 MPO (0.49) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL118255 0.85 TAAR1 (0.54) TAAR1HSPA5HTR1AMPOTSHR
1-Hexanol SCHEMBL27501536 0.84 HTR1A (0.43) TAAR1HTR1ATSHRALDH1A1TDP1
SCHEMBL10442033 0.82 TAAR1 (0.55) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL4779473 0.79 TSHR (0.50) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL21483748 0.78 HSPA5 (0.52) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL5292044 0.78 TAAR1 (0.50) TAAR1TSHRCYP2D6IDO1ALDH1A1
SCHEMBL7117302 0.77 MPO (0.49) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL18699330 0.77 TAAR1 (0.46) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL27873337 0.77 AKR1B1 (0.50) TAAR1HSPA5HTR1AMPOHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492177-B2 RAR-α compounds for inflammatory disease and male contraception Orphagen Pharmaceuticals, Inc. (US) 2025-12-09 US disclosed
CN-115335367-B RAR-alpha compounds for inflammatory diseases and male contraception 奥弗恩制药公司 2024-08-13 CN disclosed
US-20230357175-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION Orphagen Pharmaceuticals, Inc. 2023-11-09 US disclosed
US-20230357175-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION Orphagen Pharmaceuticals, Inc. 2023-11-09 US disclosed
US-20230357175-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION Orphagen Pharmaceuticals, Inc. 2023-11-09 US disclosed
CN-115335367-A RAR-alpha compounds for use in inflammatory diseases and male contraception 奥弗恩制药公司 2022-11-11 CN disclosed
EP-4077300-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION Orphagen Pharmaceuticals, Inc. (US) 2022-10-26 EP disclosed
WO-2021127250-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION Orphagen Pharmaceuticals, Inc. (US) 2021-06-24 WO disclosed
WO-2021127250-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION Orphagen Pharmaceuticals, Inc. (US) 2021-06-24 WO disclosed
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 EP disclosed
CN-1145619-A Substituted pyridine leukotriene B4 antagonists HOFFMANN LA ROCHE (CH) 1997-03-19 CN disclosed
US-5563148-A BICYCLIC ESTERS OR AMIDES; USED IN TREATING MIGRAINE, EMESIS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA OR ANXIETY IN MAMMALS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0307172-B1 Improvements in or relating to specific 5-HT3 antagonists LILLY CO ELI (US) 1995-10-11 EP disclosed
US-5442078-A Intermediates for specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed
US-5364863-A Treatment of migraine, emesis, schizophrenia, anxiety, gastrointestinal disorders ELI LILLY AND COMPANY (US) 1994-11-15 US disclosed
EP-0435681-A1 Chroman esters of phenols and benzoic acids having retinoid-like activity ALLERGAN, INC. (US) 1991-07-03 EP disclosed
US-5006550-A Skin disorder, arthritis, wound healing agents, dry eye syndrome ALLERGAN, INC. (US) 1991-04-09 US disclosed
US-4997956-A Analgesics ELI LILLY AND COMPANY (US) 1991-03-05 US disclosed
US-4921982-A 5-halo-2,3-dihydro-2,2-dimethylbenzofuran-7-carboxylic acids useful as intermediates for 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1990-05-01 US disclosed
EP-0307172-A2 Improvements in or relating to specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1989-03-15 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 (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-20230357175-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION RARA, RARB, RARG TAAR1 971/4885HSPA5 2389/4885HTR1A 1942/4885
US-12492177-B2 RAR-α compounds for inflammatory disease and male contraception RARA, RARB, RARG TAAR1 974/4885HSPA5 2392/4885HTR1A 1969/4885

“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.