SCHEMBL668550

SCHEMBL668550

CCC(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
HRH1 P35367 5/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
TAAR1 Q96RJ0 3/20 0.41
POLB P06746 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MIF P14174 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HKDC1 Q2TB90 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL6578290 0.93 CYP17A1 (0.36) HTR2AHRH1LMNATDP1POLB
SCHEMBL54346 0.85 HTR2A (0.59) HTR2AHRH1LMNATDP1TAAR1
SCHEMBL29268835 0.83 HTR2A (0.56) HTR2AHRH1LMNATDP1TAAR1
Phosphine SCHEMBL28948486 0.83 HTR2A (0.56) HTR2AHRH1LMNATDP1TAAR1
SCHEMBL12506256 0.83 HTR2A (0.56) HTR2AHRH1LMNATDP1TAAR1
Ammonia Solution, Strong SCHEMBL10389261 0.83 HTR2A (0.56) HTR2AHRH1LMNATDP1TAAR1
Ammonia Solution, Strong SCHEMBL5683105 0.83 HTR2A (0.56) HTR2AHRH1LMNATDP1TAAR1
Methane SCHEMBL28250836 0.83 HTR2A (0.56) HTR2AHRH1LMNATDP1TAAR1
SCHEMBL7918988 0.83 HRH1 (0.45) HTR2AHRH1LMNATDP1TAAR1
Dimethylamine SCHEMBL8170436 0.78 HTR2A (0.54) HTR2AHRH1LMNATDP1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115284-A1 ANTIFOULING AGENTS Phycogen, Inc. (US) 2001-07-18 EP claimed
EP-1115285-A1 SAFE AND EFFECTIVE BIOFILM INHIBITORY COMPOUNDS AND HEALTH-RELATED USES THEREOF Phycogen, Inc. (US) 2001-07-18 EP claimed
EP-1115289-A2 ENVIRONMENTALLY BENIGN CROP PROTECTION AGENTS Phycogen, Inc. (US) 2001-07-18 EP claimed
WO-2000016632-A2 ENVIRONMENTALLY BENIGN CROP PROTECTION AGENTS PHYCOGEN, INC. (US) 2000-03-30 WO claimed
WO-2000016623-A1 ANTIFOULING AGENTS PHYCOGEN, INC. (US) 2000-03-30 WO claimed
WO-2000016624-A1 SAFE AND EFFECTIVE BIOFILM INHIBITORY COMPOUNDS AND HEALTH-RELATED USES THEREOF PHYCOGEN, INC. (US) 2000-03-30 WO claimed
WO-2023222443-A1 POLYSILOXANE-POLYCARBONATE BLOCK CO-CONDENSATES FORMED FROM SPECIFICALLY TERMINATED SILOXANE BLOCKS COVESTRO DEUTSCHLAND AG (DE) 2023-11-23 WO disclosed
WO-2021122509-A1 METHOD FOR THE PRODUCTION OF A POLYESTER CARBONATE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-06-24 WO disclosed
US-8932735-B2 Aromatic amine derivative and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2015-01-13 US disclosed
US-20130306957-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO ., LTD. (JP) 2013-11-21 US disclosed
EP-2645443-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2013-10-02 EP disclosed
EP-2423179-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-02-29 EP disclosed
US-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-02-23 US disclosed
EP-1115284-A1 ANTIFOULING AGENTS Phycogen, Inc. (US) 2001-07-18 EP disclosed
EP-1115394-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DERIVATIVES OF SULPHUR ACIDS Phycogen, Inc. (US) 2001-07-18 EP disclosed
WO-2000016623-A1 ANTIFOULING AGENTS PHYCOGEN, INC. (US) 2000-03-30 WO disclosed
WO-2000016764-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DERIVATIVES OF SULPHUR ACIDS PHYCOGEN, INC. (US) 2000-03-30 WO 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-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AOC2, AOC3, H1-4 HTR2A 2221/4885HRH1 501/4885LMNA 625/4885

“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.