SCHEMBL9718632

SCHEMBL9718632

CC(C)c1ccc(Cl)c(Cl)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
LMNA P02545 5/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRB1 P18505 2/20 0.33
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 2/20 0.31
HTR2B P41595 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA1A P35348 1/20 0.31
GABRB2 P47870 2/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL15082631 0.83 LMNA (0.35) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL12985509 0.82 CYP3A4 (0.38) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL11709410 0.81 LMNA (0.34) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL14373062 0.80 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL25596329 0.79 LMNA (0.36) CYP3A4CYP1A2LMNAALDH1A1TP53
SCHEMBL12678217 0.77 LMNA (0.32) LMNATP53HTTGABRA1GABRB1
SCHEMBL1292825 0.76 GABRA1 (0.41) CYP3A4CYP1A2LMNAGABRA1GABRB1
Hydrochloric Acid SCHEMBL28139693 0.74 LMNA (0.41) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL18885910 0.74 LMNA (0.36) CYP3A4CYP1A2LMNATP53HTT
SCHEMBL21567158 0.74 CYP3A4 (0.38) CYP3A4CYP1A2CYP2D6NFKB1PNMT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds OREGON STATE UNIVERSITY (US) 2023-07-25 US disclosed
US-10786494-B2 CCR6 compounds CHEMOCENTRYX, INC. (US) 2020-09-29 US disclosed
WO-2020185695-A1 ANALOGUES AND DERIVATIVES OF CEPHALOTAXINE AND METHODS FOR MAKING AND USING THE COMPOUNDS OREGON STATE UNIVERSITY (US) 2020-09-17 WO disclosed
US-20190167659-A1 CCR6 COMPOUNDS CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20180092902-A1 CCR6 COMPOUNDS CHEMOCENTRYX, INC. 2018-04-05 US disclosed
US-9795599-B2 CCR6 compounds CHEMOCENTRYX, INC. (US) 2017-10-24 US disclosed
US-9795599-B2 CCR6 compounds CHEMOCENTRYX, INC. (US) 2017-10-24 US disclosed
US-20160296508-A1 CCR6 COMPUNDS CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-20140303144-A1 COMPOUNDS AND METHODS OF TREATING HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-09 US disclosed
US-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-02 US disclosed
US-20140228353-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-14 US disclosed
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-05 US disclosed
US-20130190293-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-25 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
EP-0322869-B1 PROCESS FOR SEPARATING DICHLOROCUMENE ISOMER TORAY INDUSTRIES, INC. (JP) 1992-09-09 EP disclosed
US-4922039-A Process for separating dichlorocumene isomer TORAY INDUSTRIES (JP) 1990-05-01 US disclosed
EP-0322869-A2 Process for separating dichlorocumene isomer TORAY INDUSTRIES, INC. (JP) 1989-07-05 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 (11 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-20130190293-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C CYP3A4 284/4885CYP1A2 761/4885CYP2D6 256/4885
US-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 CYP3A4 736/4885CYP1A2 401/4885CYP2D6 1375/4885
US-20160296508-A1 CCR6 COMPUNDS CCR6, CCR1, CCR4 CYP3A4 2933/4885CYP1A2 2229/4885CYP2D6 161/4885
US-20140303144-A1 COMPOUNDS AND METHODS OF TREATING HYPERTENSION ADRB2, ADRA2B, ADRA2C CYP3A4 712/4885CYP1A2 343/4885CYP2D6 1120/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A CYP3A4 662/4885CYP1A2 842/4885CYP2D6 336/4885
US-20190167659-A1 CCR6 COMPOUNDS CCR6, CCR1, CCR4 CYP3A4 1659/4885CYP1A2 1609/4885CYP2D6 68/4885
US-20140228353-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C CYP3A4 903/4885CYP1A2 247/4885CYP2D6 1141/4885
US-20180092902-A1 CCR6 COMPOUNDS CCR6, CCR1, CCR4 CYP3A4 1659/4885CYP1A2 1609/4885CYP2D6 68/4885
US-10786494-B2 CCR6 compounds CCR6, CCR1, CCR4 CYP3A4 1659/4885CYP1A2 1609/4885CYP2D6 68/4885
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2C, ADRA2B CYP3A4 842/4885CYP1A2 300/4885CYP2D6 1199/4885
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds SLC6A2, NAPRT, SLC6A3 CYP3A4 2094/4885CYP1A2 255/4885CYP2D6 26/4885

“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.