SCHEMBL2696935

SCHEMBL2696935

COc1cc(C=O)ccc1Oc1ccc(C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.67
▸ ESRRA P11474 6/20 0.62
▸ AR P10275 3/20 0.61
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 1/20 0.58
▸ FDPS P14324 1/20 0.51
▸ MAPT P10636 3/20 0.48
▸ HPGD P15428 2/20 0.47
▸ AOX1 Q06278 1/20 0.46
▸ TRIM24 O15164 1/20 0.46
▸ ALDH5A1 P51649 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TRIM33 Q9UPN9 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CACNA1G O43497 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46

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
SCHEMBL17955067 0.86 TTR (0.81) TTRALDH1A1TSHRFDPSMAPT
SCHEMBL19131768 0.85 TTR (0.47) TTRESRRAARALDH1A1TSHR
SCHEMBL26936583 0.85 TTR (0.79) TTRALDH1A1TSHRFDPSMAPT
SCHEMBL29965683 0.84 ESRRA (0.63) TTRESRRAARALDH1A1TSHR
SCHEMBL28889415 0.84 ESRRA (0.63) TTRESRRAARALDH1A1TSHR
SCHEMBL3692375 0.84 AR (0.48) TTRESRRAARALDH1A1TSHR
SCHEMBL6500589 0.82 AR (0.67) TTRESRRAARALDH1A1TSHR
SCHEMBL2380622 0.82 ESRRA (0.64) TTRESRRAARALDH1A1TSHR
SCHEMBL2380981 0.82 ESRRA (0.64) TTRESRRAARALDH1A1TSHR
SCHEMBL27670275 0.82 TTR (0.74) TTRARALDH1A1TSHRFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789620-B Aryl-containing saturated gamma-butyrolactone compound, preparation method thereof and application thereof in resisting plant viruses 西北农林科技大学 2024-09-10 — — CN disclosed
CN-116789620-A Aryl-containing saturated gamma-butyrolactone compound, preparation method thereof and application thereof in resisting plant viruses 西北农林科技大学 2023-09-22 — — CN disclosed
US-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 — — US disclosed
US-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 — — US disclosed
US-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 — — US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 — — US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 — — US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 — — US disclosed
EP-2450352-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2012-05-09 — — 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-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 TTR 3006/4885ESRRA 2/4885AR 13/4885
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 TTR 3006/4885ESRRA 2/4885AR 13/4885

“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.

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