SCHEMBL310731

SCHEMBL310731

Cc1c[nH]c2cccc-2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
CCR8 P51685 1/20 0.50
METAP2 P50579 1/20 0.40
CYP2A6 P11509 1/20 0.36
TGFBR1 P36897 7/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 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
SCHEMBL22940779 0.79 CCR1 (0.58) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL28856145 0.75 CCR1 (0.58) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL6815366 0.74 CCR1 (0.44) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL20019709 0.70 PARP1 (0.44) CCR1CCR8MEN1RAB9AKMT2A
SCHEMBL3745071 0.70 CCR1 (0.62) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL1456972 0.70 CCR1 (0.62) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL30099395 0.68 CCR1 (0.54) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL22051478 0.68 CCR1 (0.39) CCR1CCR8METAP2TUBB4ATUBB
SCHEMBL16715991 0.68 CCR1 (0.67) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL196966 0.68 CCR1 (1.00) CCR1CCR8METAP2CYP2A6TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP disclosed
EP-1981936-B1 FLUID RESERVOIR HENKEL AG & CO KGAA (DE) 2013-04-10 EP disclosed
US-8349781-B2 Fluid reservoir HENKEL AG & CO. KGAA (DE) 2013-01-08 US disclosed
EP-2069468-B1 PERFUME DISPENSING SYSTEM HENKEL AG & CO KGAA (DE) 2012-12-26 EP disclosed
US-20120093902-A1 FLUID RESERVOIR HENKEL AG & CO. KGAA (DE) 2012-04-19 US disclosed
EP-2097059-B1 CLEANSING OR CARE PRODUCT HENKEL KGAA (DE) 2012-04-18 EP disclosed
US-20120077728-A1 FLUID RESERVOIR HENKEL AG & CO. KGAA (DE) 2012-03-29 US disclosed
US-8093197-B2 Fluid reservoir HENKEL AG & CO. KGAA (DE) 2012-01-10 US disclosed
US-7884063-B2 perfume emulsions, for use in dryer; aromatherapy; spray containers, textile cleaning kits HENKEL AG & CO. KGAA (DE) 2011-02-08 US disclosed
WO-2008003631-A1 WASHING, CLEANING AND CARE PRODUCTS HENKEL AG & CO. KGAA (DE) 2008-01-10 WO disclosed
WO-2007131529-A1 TEXTILE TREATMENT AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-22 WO disclosed
WO-2007118733-A1 WASHING OR CLEANSING AGENT GRANULATES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007090451-A1 FLUID RESERVOIR HENKEL AG & CO. KGAA (DE) 2007-08-16 WO disclosed
WO-2007028478-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028480-A1 PARTICLES CONTAINING ZEOLITE AND PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
US-6428624-B1 MIXTURE OF REDUCING SUGAR AND BASE CATALYST; MIXTURE ENRICHED IN AT LEAST ONE AMINO ACID OF SERINE, THREONINE, VALINE, LEUCINE AND ISOLEUCINE R. J. REYNOLDS TOBACCO CO. 2002-08-06 US disclosed
US-20020074008-A1 Method of providing flavorful and aromatic compounds JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2002-06-20 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 (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-20120077728-A1 FLUID RESERVOIR CD44, VCL, PEF1 CCR1 295/4885CCR8 808/4885METAP2 3261/4885
US-20120093902-A1 FLUID RESERVOIR CD44, VCL, PEF1 CCR1 295/4885CCR8 808/4885METAP2 3261/4885

“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.