SCHEMBL17232354

SCHEMBL17232354

CC(C)c1sc2cc3ccccc3cc2c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.35
▸ NQO1 P15559 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CYP2A6 P11509 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NCEH1 Q6PIU2 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL12896185 0.73 BCL2L1 (0.39) HTR2BCYP2A6KDM4ELMNACYP1A2
SCHEMBL12896160 0.73 ALB (0.38) HTR2BCYP2A6LMNACYP1A2
SCHEMBL12896161 0.71 ESR1 (0.40) TDP1
SCHEMBL12896176 0.71 BCKDK (0.38) KDM4ELMNA
SCHEMBL11990859 0.71 GPR3 (0.46) NQO1CYP2A6TDP1HSD17B10CYP1A2
SCHEMBL30888167 0.71 GPR3 (0.46) NQO1CYP2A6TDP1HSD17B10CYP1A2
SCHEMBL14295231 0.70 RAB9A (0.42) UGT2B7NQO1LMNACYP1A2
SCHEMBL16024612 0.69 GPR3 (0.43) NQO1CYP2A6TDP1HSD17B10
SCHEMBL752667 0.69 GPR3 (0.43) NQO1CYP2A6TDP1KDM4EHSD17B10
SCHEMBL23776184 0.68 LMNA (0.36) UGT2B7HTR2AHTR2CHTR2BLMNA

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-9780315-B2 Heteroacene compounds for organic electronics BASF SE (DE) 2017-10-03 — — US disclosed
US-20150318496-A1 HETEROACENE COMPOUNDS FOR ORGANIC ELECTRONICS CLAP CO., LTD. (KR) 2015-11-05 — — 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-20150318496-A1 HETEROACENE COMPOUNDS FOR ORGANIC ELECTRONICS AP1M1, AP3M1, BMI1 UGT2B7 1558/4885NQO1 236/4885HTR2A 1134/4885

“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.

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