SCHEMBL9633161

SCHEMBL9633161

CCCc1ccc(CCCI)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.46
LIPG Q9Y5X9 5/20 0.46
ALDH1A1 P00352 3/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSPD1 P10809 1/20 0.45
ADRB3 P13945 1/20 0.45
HTR2C P28335 1/20 0.45
HSPE1 P61604 1/20 0.45

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
SCHEMBL9486125 0.87 ALDH1A1 (0.52) LPLLIPGALDH1A1HSD17B10KDM4E
SCHEMBL18856963 0.85 TAAR1 (0.52) LPLLIPGALDH1A1ESR1ADRA2A
SCHEMBL8947047 0.84 RARB (0.56) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL10567097 0.84 ESR1 (0.58) LPLLIPGALDH1A1ESR1ADRA2A
SCHEMBL8500851 0.83 ALDH1A1 (0.54) LPLLIPGALDH1A1ESR1ADRA2A
SCHEMBL10570294 0.81 ESR1 (0.62) LPLLIPGALDH1A1ESR1ADRA2A
SCHEMBL6680875 0.81 CA2 (0.60) LPLLIPGALDH1A1ESR1ADRA2A
SCHEMBL8497218 0.81 ESR1 (0.63) LPLLIPGALDH1A1ESR1ADRA2A
SCHEMBL142480 0.81 LPL (0.62) LPLLIPGALDH1A1ESR1ADRA2A
SCHEMBL18378113 0.80 CA2 (0.48) LPLLIPGALDH1A1ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11765968-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-09-19 US disclosed
US-20180212165-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-07-26 US disclosed
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 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-20180212165-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES TPR, TPO, DDT LPL 1494/4885LIPG 2471/4885ALDH1A1 3503/4885
US-11765968-B2 Organic electroluminescent materials and devices TPR, TPO, DDT LPL 1494/4885LIPG 2471/4885ALDH1A1 3503/4885

“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.