SCHEMBL17035490

SCHEMBL17035490

Cc1ccccc1-c1cccc(C)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 2/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
DCUN1D1 Q96GG9 2/20 0.39
HSP90AA1 P07900 1/20 0.39
KCNN4 O15554 1/20 0.39
BRD4 O60885 1/20 0.38
HPGD P15428 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
SCHEMBL16934069 0.92 ACHE (0.46) ACHENPC1RAB9ASMN1; SMN2GAA
SCHEMBL21481019 0.86 ACHE (0.54) ACHENPC1RAB9ASMN1; SMN2GAA
SCHEMBL21340838 0.86 ACHE (0.42) ACHENPC1RAB9ASMN1; SMN2GAA
SCHEMBL19208273 0.82 CYP3A4 (0.48) ACHENPC1RAB9ASMN1; SMN2GAA
SCHEMBL29781768 0.82 CYP3A4 (0.48) ACHENPC1RAB9ASMN1; SMN2GAA
SCHEMBL17033056 0.82 MGAM (0.47) ACHENPC1RAB9ASMN1; SMN2GAA
SCHEMBL9062277 0.82 MGAM (0.47) ACHENPC1RAB9ASMN1; SMN2GAA
SCHEMBL15856404 0.82 CYP2A6 (0.58) ACHETSHRALDH1A1CYP2A6HPGD
SCHEMBL31435744 0.82 ALDH1A1 (0.50) ACHENPC1RAB9ASMN1; SMN2GAA
SCHEMBL10304799 0.81 PDCD1 (0.44) ACHENPC1RAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (10 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-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI ACHE 4452/4885NPC1 829/4885RAB9A 2345/4885
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI ACHE 2441/4885NPC1 3006/4885RAB9A 3189/4885
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH ACHE 4447/4885NPC1 1214/4885RAB9A 1868/4885
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI ACHE 4647/4885NPC1 1550/4885RAB9A 2118/4885
US-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders CFD, TFPI, TFPI2 ACHE 3302/4885NPC1 2586/4885RAB9A 2863/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ACHE 3069/4885NPC1 4041/4885RAB9A 2757/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 ACHE 2225/4885NPC1 2278/4885RAB9A 2786/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ACHE 2262/4885NPC1 3088/4885RAB9A 2329/4885
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI ACHE 4659/4885NPC1 957/4885RAB9A 2165/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH ACHE 880/4885NPC1 1910/4885RAB9A 3229/4885

“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.