SCHEMBL4985231

SCHEMBL4985231

C=CCc1cc(C=O)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.58
TSHR P16473 1/20 0.58
FDPS P14324 1/20 0.54
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
AOX1 Q06278 1/20 0.53
ALOX5 P09917 1/20 0.52
GABRA1 P14867 1/20 0.52
CNR2 P34972 1/20 0.52
GABRB2 P47870 1/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL21159060 0.87 ALDH1A1 (0.58) ALDH1A1TSHRFDPSMAPTCYP1A2
SCHEMBL5883213 0.83 KDM4E (0.46) ALDH1A1TSHRFDPSMAPTCYP1A2
SCHEMBL2432443 0.82 ALDH1A1 (0.66) ALDH1A1TSHRFDPSMAPTCYP1A2
SCHEMBL29957052 0.82 ALDH1A1 (0.66) ALDH1A1TSHRFDPSMAPTCYP1A2
SCHEMBL8584726 0.82 ALOX5 (0.51) ALDH1A1MAPTL3MBTL1ALOX5GABRA1
SCHEMBL8534293 0.82 KDM4E (0.48) ALDH1A1TSHRFDPSMAPTCYP1A2
SCHEMBL3303362 0.81 CYP19A1 (0.56) ALDH1A1TSHRFDPSCYP1A2AOX1
SCHEMBL9164276 0.80 ALDH1A1 (0.64) ALDH1A1TSHRFDPSMAPTCYP1A2
SCHEMBL30501077 0.80 ALDH1A1 (0.64) ALDH1A1TSHRFDPSMAPTCYP1A2
SCHEMBL24489075 0.79 ALDH1A1 (0.61) ALDH1A1TSHRFDPSMAPTCYP1A2

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
WO-2010151595-A1 PYRROLO-BENZO-1,4-DIAZINES USEFUL AS SODIUM CHANNEL BLOCKERS SCHERING CORPORATION (US) 2010-12-29 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-5415854-A Sunscreen agents L'OREAL (FR) 1995-05-16 US disclosed
US-5175340-A Sunscreen agents, stabilizers L'OREAL (FR) 1992-12-29 US disclosed
EP-0392882-B1 COSMETIC COMPOSITIONS CONTAINING DIORGANOPOLYSILOXANES WITH A BENZALMALONATE FUNCTION FOR SKIN AND HAIR PROTECTION, AND THEIR USE L'OREAL (FR) 1992-10-28 EP disclosed
EP-0358584-B1 DIORGANOPOLYSILOXANES CONTAINING FUNCTIONAL BENZAL MALONATE GROUPS RHONE-POULENC CHIMIE (FR) 1992-09-16 EP disclosed
EP-0350386-B1 UNSATURATED DERIVATIVES OF LIPID SOLUBLE BENZAL MALONATES, AND THEIR USE AS UV ABSORBERS IN THE COSMETIC FIELD L'OREAL (FR) 1992-04-08 EP disclosed
EP-0232143-B1 META-BRIDGED STYRYLOXY RESINS LOCTITE (IRELAND) Ltd. (IE) 1991-10-09 EP disclosed
US-5053290-A DIORGANOPOLYSILOXANES COMPRISING BENZALMALONATE FUNCTIONAL GROUPS RHONE-POULENC CHIMIE (FR) 1991-10-01 US disclosed
EP-0392882-A1 Cosmetic compositions containing diorganopolysiloxanes with a benzalmalonate function for skin and hair protection, and their use L'OREAL (FR) 1990-10-17 EP disclosed
EP-0358584-A1 Diorganopolysiloxanes containing functional benzal malonate groups RHONE-POULENC CHIMIE (FR) 1990-03-14 EP disclosed
EP-0350386-A1 Unsaturated derivatives of lipid soluble benzal malonates, and their use as UV absorbers in the cosmetic field L'OREAL (FR) 1990-01-10 EP disclosed
EP-0232143-A2 Meta-bridged styryloxy resins LOCTITE (IRELAND) Ltd. (IE) 1987-08-12 EP disclosed
US-4640849-A Meta-bridged styryloxy resins LOCTITE (IRELAND) LIMITED (IE) 1987-02-03 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 (1 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 91/4885TSHR 662/4885FDPS 4713/4885

“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.