SCHEMBL16736485

SCHEMBL16736485

C[n+]1cc2ccccc2c2ccc3ccccc3c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.54
HPRT1 P00492 3/20 0.50
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2A6 P11509 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
BAK1 Q16611 1/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1B1 Q16678 2/20 0.42

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
SCHEMBL31614554 1.00 RAD52 (0.54) RAD52HPRT1HSD17B10TSHRALDH1A1
SCHEMBL4552751 0.76 HPRT1 (0.45) RAD52HPRT1HSD17B10TSHRALDH1A1
SCHEMBL4430194 0.72 BAD (0.50) HSD17B10TSHRALDH1A1CYP2A6TDP1
Chrysene SCHEMBL1460501 0.72 HPRT1 (0.93) HPRT1HSD17B10TSHRALDH1A1CYP2A6
Chrysene SCHEMBL18627967 0.72 HPRT1 (0.93) HPRT1HSD17B10TSHRALDH1A1CYP2A6
Phenanthrene SCHEMBL2087874 0.72 CYP2A6 (0.92) HPRT1HSD17B10TSHRALDH1A1CYP2A6
Phenanthrene SCHEMBL6281749 0.72 CYP2A6 (0.92) HPRT1HSD17B10TSHRALDH1A1CYP2A6
SCHEMBL25631677 0.72 HPRT1 (0.56) HPRT1HSD17B10TSHRALDH1A1CYP2A6
SCHEMBL22310963 0.71 TDP1 (0.52) HPRT1HSD17B10TSHRALDH1A1CYP2A6
Bromide SCHEMBL1866676 0.71 BAD (0.49) HSD17B10TSHRALDH1A1CYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933169-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto EMORY UNIVERSITY (US) 2021-03-02 US disclosed
US-10434220-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto EMORY UNIVERSITY (US) 2019-10-08 US disclosed
US-20160089478-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO UNIV EMORY (US) 2016-03-31 US disclosed
US-20150148292-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO UNIV EMORY (US) 2015-05-28 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 (4 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-20150148292-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO BMP4, BMP2, BMP1 RAD52 2942/4885HPRT1 4338/4885HSD17B10 3376/4885
US-10434220-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto BMP2, BMP4, BMP1 RAD52 4839/4885HPRT1 4090/4885HSD17B10 3216/4885
US-10933169-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto BMP2, BMP4, BMP1 RAD52 4839/4885HPRT1 4090/4885HSD17B10 3216/4885
US-20160089478-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO BMP2, BMP4, BMP1 RAD52 4839/4885HPRT1 4090/4885HSD17B10 3216/4885

“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.