SCHEMBL6159296

SCHEMBL6159296

CC=CCc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.61
CYP3A4 P08684 3/20 0.61
HTR2C P28335 3/20 0.61
HTR6 P50406 3/20 0.61
HTR1D P28221 2/20 0.61
HTR1B P28222 2/20 0.61
HTR7 P34969 2/20 0.61
CYP2D6 P10635 2/20 0.61
MPO P05164 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2A6 P11509 1/20 0.61
NFKB1 P19838 1/20 0.61
CTSK P43235 1/20 0.61
CYP2A13 Q16696 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
PMP22 Q01453 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
AHR P35869 1/20 0.58

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
SCHEMBL8742359 1.00 HTR2A (0.61) HTR2ACYP3A4HTR2CHTR6HTR1D
SCHEMBL9060407 0.86 HTR2A (0.61) HTR2ACYP3A4HTR2CHTR6HTR1D
SCHEMBL1327214 0.85 MEN1 (0.62) HTR2ACYP3A4HTR2CHTR6HTR1D
SCHEMBL1519983 0.83 HTR2A (0.54) HTR2ACYP3A4HTR2CHTR6HTR1D
SCHEMBL6803427 0.82 MEN1 (0.58) HTR2ACYP3A4HTR2CHTR6HTR1D
SCHEMBL6156912 0.82 MEN1 (0.58) HTR2ACYP3A4HTR2CHTR6HTR1D
SCHEMBL17732258 0.82 MEN1 (0.58) HTR2ACYP3A4HTR2CHTR6HTR1D
SCHEMBL11374725 0.82 MEN1 (0.58) HTR2ACYP3A4HTR2CHTR6HTR1D
SCHEMBL17732259 0.82 MEN1 (0.58) HTR2ACYP3A4HTR2CHTR6HTR1D
SCHEMBL4656420 0.81 MEN1 (0.62) HTR2ACYP3A4HTR2CHTR6HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001045-A9 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-10-26 WO disclosed
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP disclosed
EP-0783489-A1 ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996010014-A1 ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-04 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA HTR2A 2912/4885CYP3A4 698/4885HTR2C 3642/4885

“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.