SCHEMBL105870

SCHEMBL105870

CC(O)CCc1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
TYR P14679 2/20 0.55
ADRB2 P07550 4/20 0.54
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.52
OPRK1 P41145 2/20 0.51
KDM4E B2RXH2 2/20 0.50
CA2 P00918 1/20 0.50
SLC6A2 P23975 3/20 0.49
ADRB1 P08588 2/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
HIF1A Q16665 1/20 0.49
GALR3 O60755 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TAAR1 Q96RJ0 3/20 0.48

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
SCHEMBL13698052 1.00 ESR1 (0.56) ESR1ESR2TYRADRB2ALDH1A1
SCHEMBL13698055 1.00 ESR1 (0.56) ESR1ESR2TYRADRB2ALDH1A1
SCHEMBL8716911 0.94 ADRB2 (0.50) ESR1ESR2TYRADRB2ALDH1A1
SCHEMBL692205 0.87 ESR1 (0.53) ESR1ESR2TYRADRB2ALDH1A1
SCHEMBL9225478 0.85 ESR1 (0.57) ESR1ESR2TYRADRB2ALDH1A1
SCHEMBL11424378 0.85 ESR1 (0.56) ESR1ESR2TYRADRB2ALDH1A1
SCHEMBL104626 0.84 ESR1 (0.59) ESR1ESR2ADRB2ALDH1A1PKM
SCHEMBL108731 0.83 ESR1 (0.52) ESR1ESR2ADRB2ALDH1A1OPRK1
SCHEMBL690895 0.83 ESR1 (0.52) ESR1ESR2ADRB2ALDH1A1OPRK1
SCHEMBL25384060 0.82 CYP1A2 (0.48) TYRADRB2ALDH1A1TAAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50800-E1 Pro-fragrance compounds FIRMENICH SA (CH) 2026-02-17 US claimed
CN-119842029-A Multi-component copolymerization thickener for fracturing and preparation method thereof 洛阳昱胜化学有限公司 2025-04-18 CN claimed
CN-117070168-A Modified phenolic resin adhesive and preparation method thereof 河北中森化工有限公司 2023-11-17 CN claimed
EP-4103576-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL Glycoscience, S.L. (ES) 2022-12-21 EP claimed
CN-115427421-A 3' -ketoside compounds with slow release of volatile alcohols 格莱克科学有限公司 2022-12-02 CN claimed
WO-2021160670-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL GLYCOSCIENCE, S.L. (ES) 2021-08-19 WO claimed
US-10767136-B2 Pro-fragrance compounds FIRMENICH SA (CH) 2020-09-08 US claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
WO-2010067036-A1 NOVEL ARYL C-XYLOSIDE COMPOUNDS, AND COSMETIC USE L'OREAL (FR) 2010-06-17 WO claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
EP-1138666-B1 A preparation method for 4-(P-methoxyphenyl)-2-amino-butane and an insecticidal composition comprising it COUNCIL SCIENT IND RES (IN) 2004-03-03 EP claimed
EP-1138666-A1 A preparation method for 4-(P-methoxyphenyl)-2-amino-butane and an insecticidal composition comprising it Council of Scientific and Industrial Research (IN) 2001-10-04 EP claimed
US-6252114-B1 TREATING THE ISOLATED PLANT EXTRACT 4-(P-HYDROXYPHENYL)-BUTAN-2-OL WITH MINERAL ACID TO OBTAIN CORRESPONDING PHENOLIC HALIDE, O-METHYLATION OF THE PHENOL, CONVERTING HALIDE TO AZIDE WITH SUBSEQUENT CATALYTIC HYDROGENATION TO AN AMINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2001-06-26 US claimed
EP-0707072-A1 Preparation of raspberry-like ketones by bioconversion BFA LABORATOIRES (FR) 1996-04-17 EP claimed

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-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA ESR1 3581/4885ESR2 3683/4885TYR 940/4885
US-10767136-B2 Pro-fragrance compounds ADH1A, RFT1, ADH5 ESR1 1748/4885ESR2 2913/4885TYR 1176/4885

“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.