SCHEMBL80017

SCHEMBL80017

Cc1ccccc1CCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
DAO P14920 2/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
GBA1 P04062 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CTBP2 P56545 1/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL29493080 1.00 TAAR1 (0.56) TAAR1CA12CA1CA2CA7
Water SCHEMBL29017465 0.98 TAAR1 (0.54) TAAR1CA12CA1CA2CA7
SCHEMBL285786 0.93 TAAR1 (0.54) TAAR1CA12CA1CA2CA7
SCHEMBL29707636 0.91 TAAR1 (0.52) TAAR1CA12CA1CA2CA7
SCHEMBL12330373 0.91 TAAR1 (0.52) TAAR1CA12CA1CA2CA7
SCHEMBL8055122 0.91 TAAR1 (0.52) TAAR1CA12CA1CA2CA7
SCHEMBL27994627 0.91 TAAR1 (0.52) TAAR1CA12CA1CA2CA7
Water SCHEMBL9249275 0.91 TAAR1 (0.52) TAAR1CA12CA1CA2CA7
SCHEMBL12330840 0.91 TAAR1 (0.52) TAAR1CA12CA1CA2CA7
Alcohol SCHEMBL27261466 0.90 TAAR1 (0.50) TAAR1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4451875-A1 AN ANTIMICROBIAL LIQUID COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP Investments LLC (US) 2024-10-30 EP claimed
WO-2023122003-A1 AN ANTIMICROBIAL LIQUID COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2023-06-29 WO claimed
CN-115672296-A Preparation and application of phenylalanine modified short-chain column [5] arene chiral chromatographic packing 中国科学院兰州化学物理研究所 2023-02-03 CN claimed
EP-4106718-A1 ANTIMICROBIAL COMPOSITIONS Firmenich SA (CH) 2022-12-28 EP claimed
US-20220041871-A1 LOW VOC MULTIFUNCTIONAL ADDITIVES TO IMPROVE WATERBORNE POLYMER FILM PROPERTIES EMERALD KALAMA CHEMICAL, LLC (US) 2022-02-10 US claimed
EP-3946249-A1 LOW VOC MULTIFUNCTIONAL ADDITIVES TO IMPROVE WATERBORNE POLYMER FILM PROPERTIES Emerald Kalama Chemical, LLC (US) 2022-02-09 EP claimed
EP-3849501-A1 SYNERGISTICALLY-ACTING COMPOSITIONS FOR MICROBE REDUCTION THAT COMPRISE AROMATIC ALCOHOL, GLYCERYL ETHER AND BISPYRIDINIUM ALKANE AND USE OF SUCH COMPOSITIONS SCHÜLKE & MAYR GmbH (DE) 2021-07-21 EP claimed
WO-2020206296-A1 LOW VOC MULTIFUNCTIONAL ADDITIVES TO IMPROVE WATERBORNE POLYMER FILM PROPERTIES EMERALD KALAMA CHEMICAL, LLC (US) 2020-10-08 WO claimed
US-20200296958-A1 ANTIMICROBIAL COMPOSITIONS LANXESS CORPORATION 2020-09-24 US claimed
EP-3703648-A1 ANTIMICROBIAL COMPOSITIONS Emerald Kalama Chemical, LLC (US) 2020-09-09 EP claimed
EP-1888668-A1 ALCOHOL ODOROUS SUBSTANCE-RELEASING POLYSILOXANE Evonik Degussa GmbH (DE) 2008-02-20 EP claimed
EP-1507531-B1 STABLE PHARMACEUTICAL COMPOSITIONS OF DESLORATADINE TEVA PHARMA (IL) 2007-01-24 EP claimed
WO-2006131430-A1 ALCOHOL ODOROUS SUBSTANCE-RELEASING POLYSILOXANE EVONIK DEGUSSA GMBH (DE) 2006-12-14 WO claimed
EP-1507774-A1 PROCESSES FOR PREPARATION OF POLYMORPHIC FORMS OF DESLORATADINE BIOGAL GYOGYSZERGYAR RT. (HU) 2005-02-23 EP claimed
EP-1507531-A2 STABLE PHARMACEUTICAL COMPOSITIONS OF DESLORATADINE BIOGAL GYOGYSZERGYAR RT. (HU) 2005-02-23 EP claimed
WO-2004108700-A1 PROCESSES FOR PREPARATION OF POLYMORPHIC FORMS OF DESLORATADINE TEVA GYOGYSZERGYAR RESZVENYTARSASAG (HU) 2004-12-16 WO claimed
US-20040242619-A1 Processes for preparation of polymorphic forms of desloratadine TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZENYTARSASAG (HU) 2004-12-02 US claimed
US-20040229896-A1 Stable pharmaceutical compositions of desloratadine TEVA GYOGYAZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2004-11-18 US claimed
WO-2004080461-A2 STABLE PHARMACEUTICAL COMPOSITIONS OF DESLORATADINE TEVA Gyógyszergyár Részvénytársaság (HU) 2004-09-23 WO claimed
US-4204987-A Aqueous polyester dispersion for adhering vinyl film to wood THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-05-27 US 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-20040229896-A1 Stable pharmaceutical compositions of desloratadine HRH2, CMA1, QDPR TAAR1 3870/4885CA12 2988/4885CA1 4214/4885
US-20040242619-A1 Processes for preparation of polymorphic forms of desloratadine QDPR, CYP2D6, CMA1 TAAR1 2432/4885CA12 4748/4885CA1 4655/4885

“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.