SCHEMBL3587635

SCHEMBL3587635

CC[C](c1ccccc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ELANE P08246 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ATM Q13315 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ESR1 P03372 2/20 0.38
CYP19A1 P11511 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL10519134 0.98 ATM (0.41) POLBELANEHPGDMEN1KMT2A
SCHEMBL8184546 0.83 NPC1 (0.45) POLBHPGDMEN1KMT2AGAA
SCHEMBL8326384 0.81 GBA1 (0.42) MEN1KMT2AATMLMNACYP2D6
SCHEMBL8181678 0.80 ALDH1A1 (0.50) RAB9AALDH1A1
SCHEMBL11504283 0.77 EPHX2 (0.46) POLBELANEHPGDMEN1KMT2A
SCHEMBL8181911 0.77 HPGD (0.49) POLBHPGDKMT2ARAB9ASMN1; SMN2
SCHEMBL8220162 0.74 KMT2A (0.42) POLBHPGDMEN1KMT2AGAA
SCHEMBL394357 0.74 POLB (0.45) POLBELANEHPGDGAAHTT
SCHEMBL5734309 0.74 POLB (0.45) POLBELANEHPGDGAAHTT
SCHEMBL9130807 0.73 ALDH1A1 (0.46) POLBHPGDMEN1KMT2AATM

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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO POLB 2960/4885ELANE 2092/4885HPGD 746/4885

“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.