SCHEMBL9765502

SCHEMBL9765502

O=c1c2ccccc2ccc2cc(Br)c(Br)cc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
HIF1A Q16665 1/20 0.52
CYP1B1 Q16678 1/20 0.52
AKR1B1 P15121 2/20 0.47
MAPK14 Q16539 2/20 0.44
CYP2A6 P11509 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PAX8 Q06710 1/20 0.42
CYP1A2 P05177 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
HPGD P15428 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
POLB P06746 1/20 0.39
HPRT1 P00492 1/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL31540582 0.85 ALDH1A1 (0.71) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL1823342 0.83 GPR84 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1
SCHEMBL9214539 0.82 CYP2A6 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1
SCHEMBL19864880 0.82 HSP90AA1 (0.45) ALDH1A1HSD17B10MAPK14CYP2A6HPGD
SCHEMBL4181934 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1
SCHEMBL9068487 0.80 CYP2A6 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1
SCHEMBL29391827 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1
SCHEMBL30186719 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1
SCHEMBL268735 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1
SCHEMBL19862344 0.79 AKR1B1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1

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-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
EP-0272621-B1 Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones BASF Aktiengesellschaft (DE) 1991-11-27 EP disclosed
US-4845302-A Preparation of 5H-dibenzo[a,d]cyclohepten-5-ones BASF AKTIENGSELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0272621-A2 Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones BASF Aktiengesellschaft (DE) 1988-06-29 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-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ORC3, AOX1, RCOR3 ALDH1A1 976/4885HSD17B10 2992/4885HIF1A 4328/4885
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME CNKSR1, CBX4, RBX1 ALDH1A1 1096/4885HSD17B10 3506/4885HIF1A 4059/4885

“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.