SCHEMBL16127943

SCHEMBL16127943

O=C(Nc1ccc(CCCO)cc1)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ SMO Q99835 6/20 0.49
▸ PLK1 P53350 1/20 0.48
▸ ITGB1 P05556 4/20 0.47
▸ ITGA4 P13612 4/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PLAU P00749 2/20 0.43
▸ PLAT P00750 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43

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
SCHEMBL16127933 0.90 ITGB1 (0.52) KLKB1ALOX15SMOPLK1ITGB1
SCHEMBL16088657 0.89 PLK1 (0.58) KLKB1ALOX15SMOPLK1ITGB1
SCHEMBL16127942 0.85 MEN1 (0.49) ALOX15PLK1ITGB1ITGA4MEN1
SCHEMBL17538521 0.85 FFAR1 (0.52) ALOX15ITGB1ITGA4NPC1MAPT
SCHEMBL16127939 0.82 KMT2A (0.46) KLKB1ALOX15MEN1MAPTKMT2A
SCHEMBL12614440 0.81 ALDH1A1 (0.63) ALOX15KMT2ASMN1; SMN2
SCHEMBL3478178 0.81 ALDH1A1 (0.61) SMOMEN1NPC1MAPTMAPK1
SCHEMBL28259296 0.81 ALDH1A1 (0.61) SMOMEN1NPC1MAPTMAPK1
SCHEMBL16088642 0.79 PLK1 (0.56) ALOX15PLK1ITGB1ITGA4NPC1
SCHEMBL16127937 0.78 PLK1 (0.46) ALOX15PLK1ITGB1ITGA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
US-11045476-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-29 — — US disclosed
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2020-06-18 — — US disclosed
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 — — US disclosed
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 — — US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 — — US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 — — US disclosed
WO-2014151953-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-25 — — WO 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 (3 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-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 KLKB1 3944/4885ALOX15 675/4885SMO 116/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 KLKB1 3944/4885ALOX15 675/4885SMO 116/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 KLKB1 3944/4885ALOX15 675/4885SMO 116/4885

“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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