SCHEMBL44113

SCHEMBL44113

CCC(N)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.60
ALOX15 P16050 2/20 0.60
SLC6A2 P23975 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
PGR P06401 1/20 0.60
CHRM2 P08172 1/20 0.60
CYP3A4 P08684 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
AR P10275 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
CHRM1 P11229 1/20 0.60
CYP2C9 P11712 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60
PTGS1 P23219 1/20 0.60
CYP2C19 P33261 1/20 0.60
ADRA1A P35348 1/20 0.60

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
SCHEMBL895990 1.00 ESR1 (0.60) ESR1ALOX15SLC6A2TDP1LMNA
SCHEMBL895763 1.00 ESR1 (0.60) ESR1ALOX15SLC6A2TDP1LMNA
Hydrochloric Acid SCHEMBL2364486 0.98 ESR1 (0.58) ESR1ALOX15SLC6A2TDP1LMNA
SCHEMBL23092069 0.87 SLC6A4 (0.70) ESR1ALOX15SLC6A2TDP1LMNA
SCHEMBL12056794 0.82 ESR1 (0.53) ESR1ALOX15SLC6A2TDP1LMNA
SCHEMBL18782791 0.81 ESR1 (0.50) ESR1ALOX15SLC6A2TDP1LMNA
SCHEMBL3975453 0.79 SLC2A1 (0.51) ESR1ALOX15SLC6A2TDP1LMNA
SCHEMBL3865060 0.78 SLC6A4 (0.59) ESR1ALOX15SLC6A2TDP1LMNA
SCHEMBL8286101 0.78 SLC6A4 (0.59) ESR1ALOX15SLC6A2TDP1LMNA
SCHEMBL3041323 0.78 TAAR1 (0.48) ESR1ALOX15SLC6A2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036599-A Dibenzylbutane lignan LCA analogue, and preparation method and application thereof 浙江中医药大学 2026-05-15 CN claimed
CN-116813497-B Amide compound and preparation method, pharmaceutical composition and application thereof 天津匠新致成科技有限公司 2023-11-14 CN claimed
CN-108249473-B Preparation method and application of rod-shaped zinc oxide gas-sensitive material 黑龙江大学 2020-06-23 CN claimed
US-9879293-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US claimed
US-20160177354-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS SAFC, INC. 2016-06-23 US claimed
EP-2462115-B1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS INC (US) 2016-01-06 EP claimed
EP-2744908-A1 ENZYMATIC SYNTHESIS OF OPTICALLY ACTIVE CHIRAL AMINES Embio Limited (IN) 2014-06-25 EP claimed
US-8703448-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2014-04-22 US claimed
US-20140099682-A1 Enzymatic Synthesis of Optically Active Chiral Amines EMBIO LIMITED (IN) 2014-04-10 US claimed
WO-2013024453-A1 ENZYMATIC SYNTHESIS OF OPTICALLY ACTIVE CHIRAL AMINES EMBIO LIMITED (IN) 2013-02-21 WO claimed
CN-102574791-A Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS INC 2012-07-11 CN claimed
US-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-04-05 US claimed
CN-122036599-A Dibenzylbutane lignan LCA analogue, and preparation method and application thereof 浙江中医药大学 2026-05-15 CN disclosed
US-20260078417-A1 TRANSAMINASE BIOCATALYSTS CODEXIS, INC. (US) 2026-03-19 US disclosed
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2026-01-29 US disclosed
US-12448611-B2 Transaminase polypeptides CODEXIS, INC. (US) 2025-10-21 US disclosed
US-4950606-A CONTACTING IN AN AQUEOUS MEDIUM IN THE PRESENCE OF AN AMINO ACCEPTOR WITH AN OMEGA-AMINO ACID TRANSAMINASE TO CONVERT ONE OF AMINES TO KETONE CELGENE CORPORATION (US) 1990-08-21 US disclosed
US-4895849-A Aralkylaminopyrimidine compounds which are useful as for producing thereof and insecticides UBE INDUSTRIES, LTD. (JP) 1990-01-23 US disclosed
EP-0264217-A2 Aralkylaminopyrimidine derivative, process for producing thereof and insecticide, acaricide and fungicide containing said derivative as active ingredient UBE INDUSTRIES, LTD. (JP) 1988-04-20 EP disclosed
EP-0255415-A2 Use of phenylethanolamines for the preparation of medicaments acting on gastrointestinal troubles ELF SANOFI (FR) 1988-02-03 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 (3 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-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs TKT, TALDO1, BCHE ESR1 4827/4885ALOX15 2034/4885SLC6A2 3119/4885
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES GOT1, OAT, PEPD ESR1 3431/4885ALOX15 4256/4885SLC6A2 528/4885
US-20260078417-A1 TRANSAMINASE BIOCATALYSTS XDH, AGXT, PEPD ESR1 3480/4885ALOX15 3792/4885SLC6A2 820/4885

“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.