SCHEMBL177551

SCHEMBL177551

[CH2]/C(=C/C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
ALDH1A1 P00352 3/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL177552 1.00 AKT1 (0.42) AKT1TSHRMAPTTDP1POLB
SCHEMBL1173621 0.78 AKT1 (0.42) AKT1TSHRMAPTTDP1POLB
SCHEMBL1274357 0.78 AKT1 (0.42) AKT1TSHRMAPTTDP1POLB
SCHEMBL27514802 0.76 BLM (0.46) AKT1TSHRMAPTTDP1POLB
SCHEMBL5813703 0.76 MAOA (0.42) AKT1TSHRMAPTTDP1POLB
SCHEMBL3937863 0.75 ATM (0.40) AKT1TSHRMAPTTDP1POLB
SCHEMBL3937865 0.75 ATM (0.40) AKT1TSHRMAPTTDP1POLB
SCHEMBL3940042 0.75 ATM (0.40) AKT1TSHRMAPTTDP1POLB
SCHEMBL1787996 0.74 AKR1C1 (0.50) AKT1TSHRMAPTPOLBRECQL
SCHEMBL1787995 0.74 AKR1C1 (0.50) AKT1TSHRMAPTPOLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2792675-B1 COMPOUND AND ASYMMETRIC SYNTHESIS REACTION MICROBIAL CHEM RES FOUND (JP) 2017-04-12 EP disclosed
CN-103998439-B compound and asymmetric synthesis reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2016-03-23 CN disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-9187498-B2 Compound and asymmetric synthesis reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-11-17 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20150183807-A1 Compound and Asymmetric Synthesis Reaction MICROBIAL CHEM RES FOUND (JP) 2015-07-02 US disclosed
US-8981123-B2 Compound and asymmetric synthesis reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-03-17 US disclosed
EP-2792675-A1 COMPOUND AND ASYMMETRIC SYNTHESIS REACTION Microbial Chemistry Research Foundation (JP) 2014-10-22 EP disclosed
WO-1993018006-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LIMITED (HK) 1993-09-16 WO disclosed
EP-0480242-A2 Method for the production of alpha,beta-unsaturated carbonyl compounds BASF Aktiengesellschaft (DE) 1992-04-15 EP disclosed
EP-0469423-A1 Oxalyl-bishydroxamic acid derivatives, their preparation and plant growth regulating agents containing them BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed
US-5053070-A PYRIMIDINE DERIVATIVES, PREPARATION PROCESSES THEREOF, HERBICIDE CONTAINING THE SAME, AND HERBICIDAL COMPOSITIONS CONTAINING THE SAME ALONG WITH OTHER ACTIVE INGREDIENT MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-10-01 US disclosed
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
US-4986846-A PRE-AND POSTEMERGENCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-22 US disclosed
CN-1043707-A Pyrimidine derivatives and preparation method thereof and as herbicide applications MITSUI TOATSU CHEMICALS (JP) 1990-07-11 CN disclosed
EP-0374839-A1 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoximes, preparation processes thereof, herbicides containing the same, and herbicidal compositions containing the same along with other active ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 AKT1 674/4885TSHR 354/4885MAPT 4096/4885
US-20150183807-A1 Compound and Asymmetric Synthesis Reaction CYP2E1, REV1, CYP19A1 AKT1 343/4885TSHR 2276/4885MAPT 4349/4885

“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.