SCHEMBL4987129

SCHEMBL4987129

C=CCc1c(O)cccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
BCL2L1 Q07817 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
AKR1B1 P15121 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH2 P05091 1/20 0.38
GAA P10253 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 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
SCHEMBL10587406 0.87 GABRA1 (0.53) ALDH1A1HPGDHSD17B10GABRA1GABRB2
SCHEMBL8627011 0.86 AKR1B1 (0.46) ALDH1A1HPGDBCL2L1HSD17B10GABRA1
SCHEMBL1354945 0.81 GABRA1 (0.48) ALDH1A1HPGDHSD17B10GABRA1GABRB2
SCHEMBL28947809 0.81 AKR1B1 (0.45) ALDH1A1HPGDBCL2L1HSD17B10GABRA1
SCHEMBL69556 0.80 GABRA1 (0.48) ALDH1A1HPGDHSD17B10GABRA1GABRB2
SCHEMBL2362467 0.80 GABRA1 (0.52) ALDH1A1HPGDBCL2L1HSD17B10GABRA1
SCHEMBL15106928 0.80 GABRA1 (0.39) ALDH1A1HPGDBCL2L1HSD17B10GABRA1
Phenol SCHEMBL27814865 0.79 GLA (0.44) ALDH1A1HPGDGABRA1GABRB2MEN1
SCHEMBL11780256 0.79 AKR1B1 (0.41) ALDH1A1HPGDBCL2L1HSD17B10GABRA1
SCHEMBL9197925 0.79 AKR1B1 (0.71) ALDH1A1HPGDGABRA1GABRB2MEN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346495-A1 METHODS AND COMPOSITIONS COMPRISING AN NFKB INHIBITOR AND AN ADJUVANT THE UNIVERSITY OF CHICAGO (US) 2021-11-11 US disclosed
WO-2020118159-A1 METHODS AND COMPOSITIONS COMPRISING AN NFKB INHIBITOR AND AN ADJUVANT THE UNIVERSITY OF CHICAGO (US) 2020-06-11 WO disclosed
EP-3097409-A1 METHOD FOR ACCELERATED DEGRADATION OF THERMOPLASTICS SABIC Global Technologies B.V. (NL) 2016-11-30 EP disclosed
WO-2015112143-A1 METHOD FOR ACCELERATED DEGRADATION OF THERMOPLASTICS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-07-30 WO disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
US-5741438-A Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as an effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-21 US disclosed
EP-0395390-B1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-09-28 EP disclosed
EP-0524409-A1 Thermosetting bismaleinimide molding masses BASF Aktiengesellschaft (DE) 1993-01-27 EP disclosed
US-5143969-A Composites with reinforcing fibers BASF AKTIENGESELLSCHAFT (DE) 1992-09-01 US disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed
US-4670882-A Dyestuff laser BAYER AKTIENGESELLSCHAFT (DE) 1987-06-02 US disclosed
US-4274062-A Dyestuff laser BAYER AKTIENGESELLSCHAFT (DE) 1981-06-16 US disclosed
US-4271395-A Dyestuff laser BAYER AKTIENGESELLSCHAFT (DE) 1981-06-02 US disclosed
US-4256672-A REACTING PHOSPHORUS OXYCHLORIDE OR PHOSPHORUS THIOCHLORIDE WITH AN AMINO-SUBSTUTUTED PHENOL COMPOUND MITSUI TOATSU CHEMICALS, INC. (JP) 1981-03-17 US 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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B ALDH1A1 91/4885HPGD 2392/4885BCL2L1 2446/4885
US-20210346495-A1 METHODS AND COMPOSITIONS COMPRISING AN NFKB INHIBITOR AND AN ADJUVANT NFKBIA, IKBKG, NFKB2 ALDH1A1 4681/4885HPGD 1342/4885BCL2L1 1189/4885

“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.