SCHEMBL21787996

SCHEMBL21787996

NN(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DPP4 P27487 1/20 0.36
▸ BCL2L1 Q07817 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ BCAT2 O15382 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL21992412 0.87 CYP2C19 (0.38) ALDH1A1HSD17B10TDP1MAPK1HPGD
SCHEMBL15866441 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10TAAR1CYP3A4TDP1
SCHEMBL18960517 0.83 MAOA (0.39) ALDH1A1HSD17B10DPP4BCL2L1MAPK1
SCHEMBL21992411 0.83 ABL1 (0.45) ALDH1A1TDP1HPGDNPC1RAB9A
SCHEMBL21763288 0.80 ALDH1A1 (0.34) ALDH1A1HSD17B10DPP4BCL2L1MAPK1
SCHEMBL15372074 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10TAAR1CYP3A4TDP1
SCHEMBL16385447 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10TAAR1CYP3A4TDP1
SCHEMBL15038395 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10TAAR1CYP3A4TDP1
SCHEMBL15038424 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10TAAR1CYP3A4TDP1
SCHEMBL6212117 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10TAAR1CYP3A4TDP1

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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2022-01-06 — — US disclosed
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 — — 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 (2 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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS NR0B2, KCNJ2, TRRAP ALDH1A1 2569/4885HSD17B10 4262/4885TAAR1 111/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 ALDH1A1 1964/4885HSD17B10 3054/4885TAAR1 521/4885

“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.

Send feedback