SCHEMBL2696567

SCHEMBL2696567

Cc1ccc([C@](O)(C(=O)O)[C@@](O)(C(=O)O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
LMNA P02545 1/20 0.42
SRD5A2 P31213 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP19A1 P11511 1/20 0.41
CA2 P00918 1/20 0.41
KIF11 P52732 3/20 0.41

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
SCHEMBL29229419 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL339284 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL31097913 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL2695436 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
Water SCHEMBL6653863 0.98 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL27510642 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL3615410 0.87 CA2 (0.48) ALDH1A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL71815 0.81 CYP2C9 (0.61) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL11529757 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL2207056 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400505-A1 (+)-3-(2,3-DIFLUOROPHENYL)-3-METHOXYPYRROLIDINE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR PREPARATION THEREOF AND USES THEREOF INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2024-12-05 US disclosed
CN-110621659-B (+) -3- (2,3-difluorophenyl) -3-methoxy pyrrolidine or pharmaceutically acceptable salt thereof, preparation method and application thereof 综合研究实验室瑞典股份公司 2023-02-28 CN disclosed
US-20120108607-A1 OPTICALLY ACTIVE 3-[(PHENYLPIPERAZIN-1-YL)ALKYL]-3- ALKYL-OXINDOLE DERIVATIVES HAVING CNS ACTIVITY EGIS GYOGYSZERGYAR NYILVANOSAN MUEKOEDOE RESZVENYTARSASAG (HU) 2012-05-03 US disclosed
EP-0703221-B1 5 alpha-reductase Inhibitors LILLY CO ELI (US) 2002-03-27 EP disclosed
US-6150375-A INHIBITORS OF BOTH OF THE HUMAN 5AR ISOZYMES; BENIGN PROSTATE HYPERPLASIA, MALE PATTERN BALDNESS, ACNE VULGARIS, SEBORRHEA, ANDROGENIC ALOPECIA, HIRSUTISM AND PROSTATE CANCER; BLOCKS THE CONVERSION OF TESTOSTERONE TO 5-ALPHA-DIHYDROTESTOSTERONE ELI LILLY AND COMPANY (US) 2000-11-21 US disclosed
US-5670514-A BENZOQUINOLIN-3-ONE ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5635197-A BENZO(F)QUINOLIN-3-ONES; ANTICARCINOGENIC AGENTS; BONE DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
US-5629007-A USING BENZOQUINOLIN-3-ONE DERIVATIVES ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
US-5622961-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5622962-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
WO-1996009046-A1 5α-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
EP-0703221-A1 5 alpha-reductase Inhibitors ELI LILLY AND COMPANY (US) 1996-03-27 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-20120108607-A1 OPTICALLY ACTIVE 3-[(PHENYLPIPERAZIN-1-YL)ALKYL]-3- ALKYL-OXINDOLE DERIVATIVES HAVING CNS ACTIVITY TPH2, OPRK1, CYP3A7 ALDH1A1 204/4885SMN1; SMN2 155/4885TSHR 1489/4885
US-20240400505-A1 (+)-3-(2,3-DIFLUOROPHENYL)-3-METHOXYPYRROLIDINE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR PREPARATION THEREOF AND USES THEREOF FIP1L1, CYP2C9, QDPR ALDH1A1 443/4885SMN1; SMN2 317/4885TSHR 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.