SCHEMBL22990153

SCHEMBL22990153

CCCCc1ccc2[nH]c3ccc(O)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.47
▸ 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
▸ ACHE P22303 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SHBG P04278 1/20 0.47
▸ TP53 P04637 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
SCHEMBL31108179 0.90 HTR1A (0.54) HSD17B10KDM4EALDH1A1LMNAHIF1A
SCHEMBL4323287 0.90 HTR1A (0.54) HSD17B10KDM4EALDH1A1LMNAHIF1A
SCHEMBL532789 0.84 HTR1A (0.55) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL31070057 0.83 HTR1A (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL12795553 0.83 HTR1A (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL30304761 0.83 HTR1A (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL1128166 0.83 HTR1A (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL4581413 0.83 HTR1A (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL12100781 0.83 HTR1A (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL31410497 0.83 HTR1A (0.57) HSD17B10ESR1ADRA2AADORA3TACR2

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-20210355378-A9 HETEROCYCLIC COMPOUNDS EXHIBITING THERMALLY ACTIVATED DELAYED FLUORESCENCE (TADF) AND THEIR USE IN ELECTROLUMINESCENT DEVICES UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-11-18 — — US disclosed
US-20210047560-A1 HETEROCYCLIC COMPOUNDS EXHIBITING THERMALLY ACTIVATED DELAYED FLUORESCENCE (TADF) AND THEIR USE IN ELECTROLUMINESCENT DEVICES UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-18 — — 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 (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-20210355378-A9 HETEROCYCLIC COMPOUNDS EXHIBITING THERMALLY ACTIVATED DELAYED FLUORESCENCE (TADF) AND THEIR USE IN ELECTROLUMINESCENT DEVICES ETFA, TEAD2, TERF2 HSD17B10 701/4885ESR1 1541/4885ADRA2A 619/4885
US-20210047560-A1 HETEROCYCLIC COMPOUNDS EXHIBITING THERMALLY ACTIVATED DELAYED FLUORESCENCE (TADF) AND THEIR USE IN ELECTROLUMINESCENT DEVICES ETFA, TEAD2, TERF2 HSD17B10 701/4885ESR1 1541/4885ADRA2A 619/4885

“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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