SCHEMBL10155752

SCHEMBL10155752

CCC(=O)c1cc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.67
MAPT P10636 8/20 0.64
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
ALDH1A1 P00352 6/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ATM Q13315 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.61
TP53 P04637 3/20 0.61
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
HPGD P15428 4/20 0.57
HDAC3 O15379 1/20 0.56
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL2327568 0.88 LMNA (0.66) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL28117952 0.85 FLT3 (0.67) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL10313745 0.85 FLT3 (0.67) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL11343143 0.85 HDAC3 (0.60) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL3032755 0.84 FLT3 (0.61) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL6032072 0.84 FLT3 (0.65) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL14432867 0.84 FLT3 (0.65) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL243970 0.84 FLT3 (0.65) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL9612631 0.83 FLT3 (0.59) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL9046068 0.82 HDAC3 (0.58) FLT3MAPTALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022079091-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-21 WO disclosed
WO-2022079092-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-21 WO disclosed
US-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 US disclosed
CN-109311789-A The method for preparing 2,3- unsaturated alcohol 巴斯夫欧洲公司 2019-02-05 CN disclosed
WO-2017184394-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS AND FILMS MADE THEREFROM EASTMAN CHEMICAL COMPANY (US) 2017-10-26 WO disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 US disclosed
CN-103030538-B There is the spice of Herba Convallariae aromatic 西姆莱斯有限公司 2017-03-01 CN disclosed
CN-104937087-A Use of 4,8-dimethyl-3,7-nonadien-2-ol as perfume BASF SE 2015-09-23 CN disclosed
CN-104703975-A Unsaturated lactones as odorants SYMRISE AG 2015-06-10 CN disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7531667-B2 Two-photon absorption dye-containing material, three-dimensional refractive index modulation material, three-dimensional absorption index modulation material and three-dimensional optical recording material FUJIFILM CORPORATION (JP) 2009-05-12 US disclosed
US-20090071693-A1 NEGATIVE PHOTOSENSITIVE MATERIAL AND CIRCUIT BOARD MITSUI CHEMICALS, INC. (JP) 2009-03-19 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
EP-1467974-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2007-08-15 EP disclosed
CN-1021330-C Herbicide containing triazine derivative as active ingredient IDEMITSU KOSAN CO (JP) 1993-06-23 CN disclosed
CN-86106040-A Triazine derivatives, process for producing the same and herbicides containing the same as active ingredient 1987-05-20 CN 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 (5 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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A FLT3 3697/4885MAPT 4761/4885NPC1 3480/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 FLT3 1610/4885MAPT 3828/4885NPC1 2049/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R FLT3 246/4885MAPT 4544/4885NPC1 3830/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A FLT3 3697/4885MAPT 4761/4885NPC1 3480/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FLT3 1661/4885MAPT 3830/4885NPC1 2072/4885

“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.