SCHEMBL20415542

SCHEMBL20415542

CCc1ccc(CCCCCI)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.48
▸ ESR1 P03372 2/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TACR2 P21452 2/20 0.47
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SHBG P04278 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSPD1 P10809 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HSPE1 P61604 1/20 0.47
▸ HIF1A Q16665 1/20 0.47

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
SCHEMBL18856963 0.91 TAAR1 (0.52) TAAR1ESR1ADRA2AADORA3TACR2
SCHEMBL10571221 0.88 TAAR1 (0.59) TAAR1ESR1ADRA2AADORA3TACR2
SCHEMBL8497218 0.86 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10575050 0.85 TAAR1 (0.62) TAAR1ESR1ADRA2AADORA3TACR2
SCHEMBL8500851 0.84 ALDH1A1 (0.54) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9891050 0.83 TAAR1 (0.59) TAAR1HSD17B10TP53ALDH1A1LMNA
SCHEMBL9027693 0.82 TAAR1 (0.48) TAAR1ESR1ADRA2AADORA3TACR2
SCHEMBL11395796 0.82 IGF1R (0.52) TAAR1ESR1ADRA2AADORA3TACR2
SCHEMBL5389816 0.81 ESR1 (0.68) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6065362 0.81 ESR1 (0.68) ESR1ADRA2AADORA3TACR2SLC6A2

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-20180212165-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-07-26 — — 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-20180212165-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES TPR, TPO, DDT TAAR1 1030/4885ESR1 1095/4885ADRA2A 4659/4885

“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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