SCHEMBL20909604

SCHEMBL20909604

COc1ccc(CCC(=O)O)c2ccoc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNA3 P22001 3/20 0.40
NLRP3 Q96P20 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
FFAR1 O14842 3/20 0.39
ATM Q13315 1/20 0.39
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
S1PR1 P21453 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL3405010 0.78 POLB (0.46) POLBHSD17B10FFAR1FFAR4
SCHEMBL3253868 0.77 ALDH1A1 (0.49) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL4334809 0.77 POLB (0.53) POLBLMNAALDH1A1HPGDMEN1
SCHEMBL1428333 0.76 CYP2C9 (0.58) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL490405 0.72 AOC3 (0.53) POLBLMNAALDH1A1HPGDMEN1
SCHEMBL7813393 0.72 POLB (0.51) POLBFFAR4
SCHEMBL21317654 0.72 POLB (0.55) POLBLMNAALDH1A1HPGDKDM4E
SCHEMBL28125752 0.72 ALDH1A1 (0.56) POLBLMNAALDH1A1HPGDMEN1
SCHEMBL7821976 0.72 POLB (0.48) POLBLMNAALDH1A1HPGDMEN1
SCHEMBL3967417 0.72 POLB (0.48) POLBLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 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 (1 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT POLB 126/4885LMNA 3070/4885ALDH1A1 3748/4885

“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.