SCHEMBL18244154

SCHEMBL18244154

[O]CCCc1cccc(C(Cl)(Cl)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ TSHR P16473 2/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ GRK5 P34947 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ MIF P14174 1/20 0.35
▸ DAO P14920 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ACP3 P15309 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ PGK2 P07205 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL18241962 0.95 HDAC1 (0.41) TAAR1HDAC1HDAC8TSHRS1PR1
SCHEMBL18244130 0.89 TAAR1 (0.43) TAAR1HDAC1HDAC8TSHRS1PR1
SCHEMBL18242764 0.86 TAAR1 (0.39) TAAR1HDAC1HDAC8TSHRS1PR1
SCHEMBL18241981 0.83 TAAR1 (0.37) TAAR1HDAC1HDAC8TSHRS1PR1
SCHEMBL18378411 0.82 TAAR1 (0.46) TAAR1HDAC1HDAC8TSHRMIF
SCHEMBL18243975 0.82 TAAR1 (0.36) TAAR1HDAC1HDAC8S1PR1GRK5
SCHEMBL1045499 0.81 TAAR1 (0.62) TAAR1HDAC1HDAC8TSHRMIF
SCHEMBL18243547 0.81 TAAR1 (0.41) TAAR1HDAC1HDAC8TSHRS1PR1
SCHEMBL18242981 0.81 HDAC1 (0.40) TAAR1HDAC1HDAC8MIFDAO
SCHEMBL18242322 0.80 TSHR (0.42) TAAR1TSHRS1PR1GRK5CDK8

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 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 (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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TAAR1 1102/4885HDAC1 3660/4885HDAC8 3395/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TAAR1 1102/4885HDAC1 3660/4885HDAC8 3395/4885

“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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