SCHEMBL12961032

SCHEMBL12961032

CCCc1ccc(C(C)CC)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CALM1 P0DP23 2/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HTR1A P08908 1/20 0.40

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
SCHEMBL12929971 0.86 ATM (0.44) ATMKDM4ECALM1STAT3ALOX5
SCHEMBL18924620 0.83 KDM4E (0.42) ATMKDM4EMAPK1ALDH1A1CYP19A1
SCHEMBL22838628 0.83 TTR (0.42) POLBNPC1RAB9ATSHRCYP3A4
SCHEMBL25687627 0.80 ALDH1A1 (0.61) KDM4EALOX5GABRA1GABRB2NPC1
SCHEMBL10175139 0.77 HDAC4 (0.43) POLBSMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL10172021 0.77 CA12 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11437277 0.77 CA12 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2632721 0.77 ACHE (0.50) KDM4EPOLBNPC1RAB9AMAPK1
SCHEMBL12606793 0.77 CA12 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL427541 0.76 ATM (0.68) ATMKDM4ESTAT3POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-01-20 — — 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-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation FLI1, VGF, GMFG ATM 1893/4885KDM4E 982/4885CALM1 3241/4885

“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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