SCHEMBL581982

SCHEMBL581982

C/C(=C/c1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 1.00
HTT P42858 1/20 0.60
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
AKR1C1 Q04828 1/20 0.54
RECQL P46063 1/20 0.52
DHODH Q02127 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
APEX1 P27695 4/20 0.50
FBP1 P09467 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TBXAS1 P24557 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL16568719 1.00 AKR1C3 (1.00) AKR1C3HTTALDH1A1TSHRAKR1C1
SCHEMBL37034 1.00 AKR1C3 (1.00) AKR1C3HTTALDH1A1TSHRAKR1C1
SCHEMBL41906 1.00 AKR1C3 (1.00) AKR1C3HTTALDH1A1TSHRAKR1C1
Ammonia Solution, Strong SCHEMBL6328951 0.98 AKR1C3 (0.95) AKR1C3HTTALDH1A1TSHRAKR1C1
Ammonia Solution, Strong SCHEMBL6327037 0.98 AKR1C3 (0.95) AKR1C3HTTALDH1A1TSHRAKR1C1
SCHEMBL27719681 0.98 AKR1C3 (0.95) AKR1C3HTTALDH1A1TSHRAKR1C1
Acetic Acid SCHEMBL6897109 0.98 AKR1C3 (0.95) AKR1C3HTTALDH1A1TSHRAKR1C1
Acetic Acid SCHEMBL6897113 0.98 AKR1C3 (0.95) AKR1C3HTTALDH1A1TSHRAKR1C1
Hydrochloric Acid SCHEMBL9445639 0.98 AKR1C3 (0.95) AKR1C3HTTALDH1A1TSHRAKR1C1
Biphenyl SCHEMBL28220466 0.94 AKR1C3 (0.88) AKR1C3HTTALDH1A1TSHRAKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101598-B1 TOBACCO PRODUCT, PREPARATION AND USES THEREOF BRITISH AMERICAN TOBACCO CO (GB) 2011-09-28 EP claimed
US-11915925-B2 Semiconductor device manufacturing method DAICEL CORPORATION (JP) 2024-02-27 US disclosed
US-11915925-B2 Semiconductor device manufacturing method DAICEL CORPORATION (JP) 2024-02-27 US disclosed
US-11710731-B2 Semiconductor device manufacturing method DAICEL CORPORATION (JP) 2023-07-25 US disclosed
US-11710731-B2 Semiconductor device manufacturing method DAICEL CORPORATION (JP) 2023-07-25 US disclosed
US-20220024961-A1 METHODS AND COMPOUNDS FOR MODULATING THE SECRETION OR EXPRESSION OF ADHESION PROTEINS OR ANGIOPOIETINS OF CELLS PACIFIC ARROW LTD (CN) 2022-01-27 US disclosed
US-20210391165-A1 SEMICONDUCTOR DEVICE MANUFACTURING METHOD DAICEL CORPORATION (JP) 2021-12-16 US disclosed
US-20210384183-A1 SEMICONDUCTOR DEVICE MANUFACTURING METHOD DAICEL CORPORATION (JP) 2021-12-09 US disclosed
US-20210384184-A1 SEMICONDUCTOR DEVICE MANUFACTURING METHOD DAICEL CORPORATION (JP) 2021-12-09 US disclosed
US-20210358884-A1 SEMICONDUCTOR DEVICE MANUFACTURING METHOD DAICEL CORPORATION (JP) 2021-11-18 US disclosed
US-20100317606-A1 NOVEL TRITERPENES FOR MODULATING GENE EXPRESSION AND CELL MEMBRANE, AND AS ANTIPROTOZOAL AGENTS PACIFIC ARROW LIMITED (CN) 2010-12-16 US disclosed
US-20100317606-A1 NOVEL TRITERPENES FOR MODULATING GENE EXPRESSION AND CELL MEMBRANE, AND AS ANTIPROTOZOAL AGENTS PACIFIC ARROW LIMITED (CN) 2010-12-16 US disclosed
EP-2254899-A1 BLOCKING THE METASTASIS OF CANCER CELLS AND THE USES OF NEW COMPOUNDS THEREOF Pacific Arrow Limited (VG) 2010-12-01 EP disclosed
EP-1646636-B1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2009-12-02 EP disclosed
WO-2009117196-A1 BLOCKING THE METASTASIS OF CANCER CELLS AND THE USES OF NEW COMPOUNDS THEREOF PACIFIC ARROW LIMITED (CN) 2009-09-24 WO disclosed
WO-2009117196-A1 BLOCKING THE METASTASIS OF CANCER CELLS AND THE USES OF NEW COMPOUNDS THEREOF PACIFIC ARROW LIMITED (CN) 2009-09-24 WO disclosed
US-6786945-B2 Polishing compound and method for polishing substrate HITACHI CHEMICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20040065022-A1 Polishing compound and method for polishing substrate HITACHI CHEMICAL CO., LTD. (JP) 2004-04-08 US disclosed
EP-1369906-A1 POLISHING COMPOUND AND METHOD FOR POLISHING SUBSTRATE HITACHI CHEMICAL COMPANY, LTD. (JP) 2003-12-10 EP disclosed
EP-0038046-B1 PHARMACEUTICAL AMIDES, AND PREPARATION, FORMULATIONS AND USE THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-29 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-20100317606-A1 NOVEL TRITERPENES FOR MODULATING GENE EXPRESSION AND CELL MEMBRANE, AND AS ANTIPROTOZOAL AGENTS TEK, PTK2, MPL AKR1C3 4037/4885HTT 2278/4885ALDH1A1 3114/4885
US-20220024961-A1 METHODS AND COMPOUNDS FOR MODULATING THE SECRETION OR EXPRESSION OF ADHESION PROTEINS OR ANGIOPOIETINS OF CELLS TEK, FN1, MYL6 AKR1C3 4153/4885HTT 1585/4885ALDH1A1 3028/4885

“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.