SCHEMBL3762041

SCHEMBL3762041

Cc1ccccc1-c1cc(-c2ccccc2C)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.48
HTR2C P28335 4/20 0.47
HTR2A P28223 1/20 0.47
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 5/20 0.41
IDO1 P14902 1/20 0.41
METAP2 P50579 1/20 0.41
FABP3 P05413 1/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C19 P33261 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CLK4 Q9HAZ1 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP3A4 P08684 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP2 O95551 2/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL10357995 0.83 ESRRA (0.58) ESRRAHTR2CHTR2APTGS2CYP1A2
SCHEMBL23685715 0.83 PTGS2 (0.50) HTR2CHTR2APTGS2CYP1A2IDO1
SCHEMBL14464275 0.83 RAB9A (0.41) ESRRAPTGS2ALDH1A1CLK4MAPT
SCHEMBL29406288 0.81 MAPT (0.43) HTR2CHTR2APTGS2CYP1A2IDO1
SCHEMBL13974491 0.81 MAPT (0.43) HTR2CHTR2APTGS2CYP1A2IDO1
SCHEMBL23403457 0.80 CYP1A2 (0.44) ESRRAHTR2CHTR2APTGS2CYP1A2
SCHEMBL23399008 0.80 ESRRA (0.43) ESRRAPTGS2CYP1A2IDO1FABP3
SCHEMBL3762037 0.80 PTGS2 (0.41) HTR2CHTR2APTGS2CYP1A2IDO1
SCHEMBL3436593 0.75 CA12 (0.55) HTR2CHTR2APTGS2ALDH1A1MAPT
SCHEMBL14557159 0.73 PTGS2 (0.44) PTGS2CYP1A2IDO1METAP2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT ESRRA 2265/4885HTR2C 4685/4885HTR2A 4672/4885

“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.