SCHEMBL18156889

SCHEMBL18156889

Cc1cc(C(C)(C)O)cc(C)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
ALDH1A1 P00352 7/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 3/20 0.35
ESR1 P03372 3/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 4/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL13497781 0.81 HTT (0.45) POLBALDH1A1TSHRTDP1CYP3A4
SCHEMBL26502714 0.78 ESR1 (0.37) POLBALDH1A1ESR1HTR1DHTR1B
SCHEMBL2231480 0.78 POLB (0.94) POLBALDH1A1TSHRTDP1CYP3A4
SCHEMBL2891481 0.78 POLB (0.67) POLBALDH1A1TSHRTDP1CYP3A4
SCHEMBL1816541 0.77 POLB (0.52) POLBALDH1A1TSHRTDP1CYP3A4
SCHEMBL548187 0.76 GABRA1 (0.45) ALDH1A1TSHRTDP1CYP3A4KDM4E
SCHEMBL23113333 0.76 ALDH1A1 (0.36) POLBALDH1A1TSHRKDM4EGAA
SCHEMBL11701905 0.76 CA2 (0.52) POLBALDH1A1TSHRTDP1CYP3A4
SCHEMBL3036358 0.75 POLB (0.62) POLBALDH1A1TSHRTDP1CYP3A4
SCHEMBL22124842 0.73 KDM4E (0.45) POLBALDH1A1TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114977-A1 S1PR4 RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF TIAKI THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 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 (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-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB POLB 4288/4885ALDH1A1 1054/4885TSHR 167/4885

“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.