SCHEMBL22988930

SCHEMBL22988930

c1cc2ccc3[nH]c4ccc5cccc6oc(c1)c2c3c4c56

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 3/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CA1 P00915 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CA13 Q8N1Q1 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL23030549 0.85 MAPK1 (0.38) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL30352822 0.83 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL6254645 0.83 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL22988505 0.81 MAPK1 (0.42) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL24266188 0.80 CDK4 (0.38) ALDH1A1HSD17B10TSHRCDK4CCND1
SCHEMBL31568010 0.77 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL1273519 0.77 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL14951814 0.76 L3MBTL1 (0.50) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL3727430 0.76 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL29671006 0.76 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP1A2HPGD

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
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed
US-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2016-11-24 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-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 ALDH1A1 1603/4885HSD17B10 3604/4885TSHR 3548/4885

“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.