SCHEMBL4442152

SCHEMBL4442152

c1ccc2c(c1)cc(-c1cc3c4ccccc4c(-c4cc5ccccc5c5ccccc45)cc3c3ccccc13)c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 4/20 0.55
HIF1A Q16665 2/20 0.55
CYP1B1 Q16678 1/20 0.55
TRPM4 Q8TD43 1/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
HPRT1 P00492 3/20 0.52
CYP2A6 P11509 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP11B1 P15538 1/20 0.50
NISCH Q9Y2I1 1/20 0.47
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
RAD52 P43351 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL29637136 0.94 ALDH1A1 (0.60) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL7905250 0.94 ALDH1A1 (0.60) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL30915551 0.93 HPRT1 (0.67) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL383693 0.86 HPRT1 (0.74) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL17928573 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL31373840 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL5821497 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL28067095 0.82 ALDH1A1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL10423210 0.82 TRPM4 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL2966644 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090009073-A1 Oligoarylene Derivatives and Organic Electroluminescent Devices Made By Using The Same IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009074-A1 Oligoarylene Derivatives and Organic Electroluminescent Devices Made By Using The Same IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-7429425-B2 Oligoarylene derivatives and organic electroluminescent devices made by using the same IDEMITSU KOSAN COMPANY, LTD. (JP) 2008-09-30 US disclosed
US-20060134456-A1 Oligoarylene derivatives and organic electroluminescent devices made by using the same IDEMITSU KOSAN CO., LTD (JP) 2006-06-22 US disclosed
EP-1533290-A1 OLIGOARYLENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES MADE BY USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-05-25 EP 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-20090009074-A1 Oligoarylene Derivatives and Organic Electroluminescent Devices Made By Using The Same NR0B2, ADRB3, NR0B1 ALDH1A1 897/4885HSD17B10 901/4885HIF1A 3677/4885
US-20090009073-A1 Oligoarylene Derivatives and Organic Electroluminescent Devices Made By Using The Same NR0B2, ADRB3, NR0B1 ALDH1A1 747/4885HSD17B10 1236/4885HIF1A 3629/4885

“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.