SCHEMBL20739633

SCHEMBL20739633

Oc1ccc(C2=CCCC2c2cccc(O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
BCHE P06276 1/20 0.39
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL24736158 0.67 ESR2 (0.59) CYP3A4CYP2C9ESR1
SCHEMBL725883 0.67 KDM4E (0.41) CHRNB4CHRNA3CYP3A4CYP2C9MEN1
SCHEMBL29427014 0.66 DRD2 (0.59) CYP3A4
SCHEMBL1608042 0.66 DRD2 (0.59) CYP3A4
SCHEMBL16581483 0.65 KDM1A (0.43) CYP3A4CYP2C9ESR1KDM1AHDAC6
Resorcinol SCHEMBL5712184 0.64 HSD17B1 (0.80) HSD17B1HSD17B2CYP3A4CYP2C9MEN1
SCHEMBL9131537 0.64 HTR2A (0.54) HSD17B1HSD17B2CHRNB4CHRNA3CYP3A4
SCHEMBL9131533 0.64 HTR2A (0.54) HSD17B1HSD17B2CHRNB4CHRNA3CYP3A4
SCHEMBL1658753 0.63 HDAC4 (0.56)
SCHEMBL1661863 0.63 HDAC4 (0.61)

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-10654965-B2 Method of producing five-carbon ring-containing compound and five-carbon ring derivative-containing polyurethane, and five-carbon ring derivative-containing polyurethane NATIONAL CHUNG SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) 2020-05-19 US disclosed
US-20190048123-A1 METHOD OF PRODUCING FIVE-CARBON RING-CONTAINING COMPOUND AND FIVE-CARBON RING DERIVATIVE-CONTAINING POLYURETHANE, AND FIVE-CARBON RING DERIVATIVE-CONTAINING POLYURETHANE NATIONAL CHUNG SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) 2019-02-14 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-20190048123-A1 METHOD OF PRODUCING FIVE-CARBON RING-CONTAINING COMPOUND AND FIVE-CARBON RING DERIVATIVE-CONTAINING POLYURETHANE, AND FIVE-CARBON RING DERIVATIVE-CONTAINING POLYURETHANE UROD, DCUN1D5, DCTD HSD17B1 894/4885HSD17B2 745/4885BCHE 2130/4885
US-10654965-B2 Method of producing five-carbon ring-containing compound and five-carbon ring derivative-containing polyurethane, and five-carbon ring derivative-containing polyurethane UROD, DCUN1D5, DCTD HSD17B1 894/4885HSD17B2 745/4885BCHE 2130/4885

“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.