SCHEMBL1487706

SCHEMBL1487706

CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCC)s4)s3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ RARB P10826 5/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ TACR2 P21452 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SHBG P04278 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HSPD1 P10809 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ HTR2C P28335 1/20 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
SCHEMBL11013515 0.97 KDM4E (0.49) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL11015834 0.90 KDM4E (0.49) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL11017540 0.90 KDM4E (0.49) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL11016961 0.89 KDM4E (0.44) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL11015800 0.89 HSD17B10 (0.51) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL6421748 0.89 HSD17B10 (0.53) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL6422261 0.89 HSD17B10 (0.53) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL1231095 0.89 HSD17B10 (0.53) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL4449126 0.89 HSD17B10 (0.53) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL14703081 0.87 HSD17B10 (0.56) KDM4ERAB9ARARBHSD17B10TSHR

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-7915609-B2 Smectic liquid crystal compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-03-29 — — US disclosed
US-7915609-B2 Smectic liquid crystal compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-03-29 — — US disclosed
US-20100237327-A1 SMECTIC LIQUID CRYSTAL COMPOUND NAT. INSTIUTE OF ADV. INDUSTRIAL SCI. AND TECH. (JP) 2010-09-23 — — US disclosed
US-20100237327-A1 SMECTIC LIQUID CRYSTAL COMPOUND NAT. INSTIUTE OF ADV. INDUSTRIAL SCI. AND TECH. (JP) 2010-09-23 — — US disclosed
EP-2036900-A1 SMECTIC LIQUID CRYSTAL COMPOUND National Institute Of Advanced Industrial Science and Technology (JP) 2009-03-18 — — 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 (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-20100237327-A1 SMECTIC LIQUID CRYSTAL COMPOUND CNOT1, SLC43A1, CNOT9 KDM4E 2711/4885RAB9A 578/4885RARB 3721/4885

“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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