SCHEMBL3045994

SCHEMBL3045994

CC(C)(CO)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SHBG P04278 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP2A6 P11509 1/20 0.38
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OGG1 O15527 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34

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
SCHEMBL12002534 0.94 CNR2 (0.42) CNR1CNR2SHBGESR1ESR2
SCHEMBL4593380 0.87 CNR1 (0.48) CNR1CNR2SHBGESR1ESR2
SCHEMBL1684429 0.81 CYP2A6 (0.38) ESR1ESR2CYP2A6ALOX15ALDH1A1
SCHEMBL10879927 0.80 LMNA (0.52) CNR1CNR2SHBGESR1ESR2
SCHEMBL187807 0.80 ESR1 (0.52) CNR1CNR2SHBGESR1ESR2
SCHEMBL22928386 0.79 TNKS (0.37) CYP2A6ALOX15ALDH1A1OGG1HTT
SCHEMBL6483148 0.79 TNKS (0.37) CYP2A6ALOX15ALDH1A1OGG1HTT
SCHEMBL13666515 0.78 CNR1 (0.43) CNR1CNR2SHBGESR1ESR2
SCHEMBL10476838 0.78 SHBG (0.64) CNR1CNR2SHBGESR1ESR2
SCHEMBL3239365 0.78 NPC1 (0.48) CNR2SHBGCYP2A6SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503452-B2 Antimicrobial compounds and methods CURZA GLOBAL, LLC (US) 2025-12-23 US disclosed
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 EP disclosed
US-12435128-B2 Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2025-10-07 US disclosed
CN-114591291-B Bilastine intermediate compound and preparation method thereof 鲁南制药集团股份有限公司 2025-06-17 CN disclosed
US-20250026749-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2025-01-23 US disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed
US-12060349-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2024-08-13 US disclosed
WO-2024153244-A1 NITROGEN-CONTAINING COMPOUND 南京再明医药有限公司 2024-07-25 WO disclosed
EP-3681883-B1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-21 EP disclosed
CN-111094278-B Diphenyl derivative and use thereof 诺华股份有限公司 2023-07-14 CN disclosed
US-7091231-B2 12-Aryl prostaglandin analogs ALLERGAN, INC. (US) 2006-08-15 US disclosed
US-20060148894-A1 Z)-7-{(1R,2S,3R)-2-[4-(Cyclohexyl-hydroxy-methyl)-phenyl]-3-hydroxy-5-oxo cyclopentyl}-hept-5-enoic acid methyl ester; treating vision defects ALLERGAN, INC. (US) 2006-07-06 US disclosed
WO-2006063179-A1 12-ARYL PROSTAGLANDIN ANALOGS ALLERGAN, INC. (US) 2006-06-15 WO disclosed
EP-0094085-B1 ETHER COMPOUNDS, THEIR PRODUCTION AND AN INSECTICIDAL AND/OR ACARICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-02 EP disclosed
US-4562213-A Certain phenoxy-benzyloxy ether derivatives and an insecticidal and/or acaricidal composition containing the same and methods of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-31 US disclosed
US-4417052-A ANTIINFLAMMATORY AGENTS; ANALGESICS; VIRICIDES STERLING DRUG INC. (US) 1983-11-22 US disclosed
EP-0094085-A1 Ether compounds, their production and an insecticidal and/or acaricidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-16 EP disclosed
US-4393233-A FROM ISOBUTYRIC ACID, BROMINE, AND BENZENE ALLIED CORPORATION (US) 1983-07-12 US disclosed
US-4310655-A Polymers of p-(1,1-dimethyl-2-hydroxyethyl)benzoic acid and preparation thereof ALLIED CORPORATION (US) 1982-01-12 US disclosed
US-4308382-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1981-12-29 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 (5 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-12435128-B2 Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 INMT, CARM1, KDM1B CNR1 2896/4885CNR2 2951/4885SHBG 1898/4885
US-12060349-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GALC CNR1 1884/4885CNR2 2639/4885SHBG 4595/4885
US-20250026749-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA CNR1 1663/4885CNR2 2089/4885SHBG 4614/4885
US-20060148894-A1 Z)-7-{(1R,2S,3R)-2-[4-(Cyclohexyl-hydroxy-methyl)-phenyl]-3-hydroxy-5-oxo cyclopentyl}-hept-5-enoic acid methyl ester; treating vision defects ALOX5, PTGER2, PTGER1 CNR1 47/4885CNR2 21/4885SHBG 2066/4885
US-12503452-B2 Antimicrobial compounds and methods MPO, NISCH, RPN2 CNR1 4258/4885CNR2 4370/4885SHBG 4307/4885

“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.